IUPAC Name: 2-phenylpropane-2-thiol | CAS Registry Number: 16325-88-5| Molecular Formula: | C9H12S | Molecular Weight: | 152.256580 [g/mol] |
| H-Bond Donor: | 1 | H-Bond Acceptor: | 1 |
InChIKey: WBDRVMIJNFZLMN-UHFFFAOYSA-N
IUPAC Name: 3-benzyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one | CAS Registry Number: 107835-88-1| Molecular Formula: | C11H13NO3 | Molecular Weight: | 207.230 [g/mol] |
| H-Bond Donor: | 1 | H-Bond Acceptor: | 3 |
InChIKey: QNLZNBYVKXPUFF-UHFFFAOYSA-N
IUPAC Name: 2-[2-(1,3-dioxoisoindol-2-yl)ethyl]isoindole-1,3-dione | CAS Registry Number: 607-26-1| Molecular Formula: | C18H12N2O4 | Molecular Weight: | 320.298880 [g/mol] |
| H-Bond Donor: | 0 | H-Bond Acceptor: | 4 |
InChIKey: MSNBDDJGCNYFNM-UHFFFAOYSA-N
IUPAC Name: 2-(4-chlorophenyl)sulfanylacetamide | CAS Registry Number: 30893-65-3| Molecular Formula: | C8H8ClNOS | Molecular Weight: | 201.673220 [g/mol] |
| H-Bond Donor: | 1 | H-Bond Acceptor: | 2 |
InChIKey: YHZANKPQPBORBP-UHFFFAOYSA-N
IUPAC Name: N-(2-methoxyphenyl)-3-oxo-3-phenylpropanamide | CAS Registry Number: 92-16-0| Molecular Formula: | C16H15NO3 | Molecular Weight: | 269.295200 [g/mol] |
| H-Bond Donor: | 1 | H-Bond Acceptor: | 3 |
InChIKey: FTYSHTGKLFLKRX-UHFFFAOYSA-N
IUPAC Name: (3Z)-3-benzylideneoxolan-2-one | CAS Registry Number: 6285-99-0| Molecular Formula: | C11H10O2 | Molecular Weight: | 174.195900 [g/mol] |
| H-Bond Donor: | 0 | H-Bond Acceptor: | 2 |
InChIKey: TWDMVZSYTMJVEK-NTMALXAHSA-N
IUPAC Name: 2-(dimethylamino)propanenitrile | CAS Registry Number: 5350-67-4| Molecular Formula: | C5H10N2 | Molecular Weight: | 98.146300 [g/mol] |
| H-Bond Donor: | 0 | H-Bond Acceptor: | 2 |
InChIKey: GQJKKKULUSFWSC-UHFFFAOYSA-N
IUPAC Name: (2S)-2-amino-2-(fluoromethyl)-3-(1H-imidazol-5-yl)propanoic acid | CAS Registry Number: 70050-43-0| Molecular Formula: | C7H10FN3O2 | Molecular Weight: | 187.171603 [g/mol] |
| H-Bond Donor: | 3 | H-Bond Acceptor: | 5 |
InChIKey: AJFGLTPLWPTALJ-SSDOTTSWSA-N
IUPAC Name: 2-[2-[2-(carboxymethylsulfanyl)ethoxy]ethylsulfanyl]acetic acid | CAS Registry Number: 4408-66-6| Molecular Formula: | C8H14O5S2 | Molecular Weight: | 254.323760 [g/mol] |
| H-Bond Donor: | 2 | H-Bond Acceptor: | 7 |
InChIKey: FOAZYQMVLNFBKU-UHFFFAOYSA-N
IUPAC Name: trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-4-yl)ethyl]silane | CAS Registry Number: 155684-30-3| Molecular Formula: | C11H22O4Si | Molecular Weight: | 246.375480 [g/mol] |
| H-Bond Donor: | 0 | H-Bond Acceptor: | 4 |
InChIKey: DQZNLOXENNXVAD-UHFFFAOYSA-N
IUPAC Name: 2-(3-aminopropanoylamino)-3-phenylpropanoic acid | CAS Registry Number: 19771-40-5| Molecular Formula: | C12H16N2O3 | Molecular Weight: | 236.267040 [g/mol] |
| H-Bond Donor: | 3 | H-Bond Acceptor: | 4 |
InChIKey: FLJLAJANCPPHDW-UHFFFAOYSA-N
IUPAC Name: 2-amino-4-hydrazinyl-4-oxobutanoic acid | CAS Registry Number: 5444-98-4| Molecular Formula: | C4H9N3O3 | Molecular Weight: | 147.132560 [g/mol] |
| H-Bond Donor: | 4 | H-Bond Acceptor: | 5 |
InChIKey: YIEJWMCKVBZQLD-UHFFFAOYSA-N
IUPAC Name: 3-(4,6-diamino-1,3,5-triazin-2-yl)propanenitrile | CAS Registry Number: 4784-14-9| Molecular Formula: | C6H8N6 | Molecular Weight: | 164.167920 [g/mol] |
| H-Bond Donor: | 2 | H-Bond Acceptor: | 6 |
InChIKey: WKDLAFCZWQWJGY-UHFFFAOYSA-N
IUPAC Name: 3-[(2-carboxy-1,1,2,2-tetradeuterioethyl)amino]-2,2,3,3-tetradeuteriopropanoic acid | CAS Registry Number: 1219803-81-2| Molecular Formula: | C6H11NO4 | Molecular Weight: | 169.206 [g/mol] |
| H-Bond Donor: | 3 | H-Bond Acceptor: | 5 |
InChIKey: TXPKUUXHNFRBPS-SVYQBANQSA-N
IUPAC Name: methyl (2S)-8',10-dihydroxy-5',7'-dimethoxy-4',9,9'-trioxospiro[3,4-dihydropyrano[4,3-g]chromene-2,2'-3H-benzo[f][1]benzofuran]-7-carboxylate | CAS Registry Number: 27267-70-5| Molecular Formula: | C27H20O12 | Molecular Weight: | 536.440500 [g/mol] |
| H-Bond Donor: | 2 | H-Bond Acceptor: | 12 |
InChIKey: FXCBZGHGMRSWJD-MHZLTWQESA-N
IUPAC Name: 4,4-bis(4-hydroxy-3-nitrophenyl)pentanoic acid | CAS Registry Number: 14601-82-2| Molecular Formula: | C17H16N2O8 | Molecular Weight: | 376.317540 [g/mol] |
| H-Bond Donor: | 3 | H-Bond Acceptor: | 8 |
InChIKey: VGRYMKZWQBZCPX-UHFFFAOYSA-N
IUPAC Name: 4-chloro-3-methyl-2,2-diphenylbutanenitrile | CAS Registry Number: 133132-74-8| Molecular Formula: | C17H16ClN | Molecular Weight: | 269.768640 [g/mol] |
| H-Bond Donor: | 0 | H-Bond Acceptor: | 1 |
InChIKey: PEHXKUSWSJTMRC-UHFFFAOYSA-N
IUPAC Name: $l^{1}-oxidanylethene | CAS Registry Number: 6912-06-7| Molecular Formula: | C2H3O | Molecular Weight: | 43.044620 [g/mol] |
| H-Bond Donor: | 0 | H-Bond Acceptor: | 0 |
InChIKey: FATAVLOOLIRUNA-UHFFFAOYSA-N
IUPAC Name: 2-(4-aminophenyl)butanoic acid | CAS Registry Number: 29644-97-1| Molecular Formula: | C10H13NO2 | Molecular Weight: | 179.215720 [g/mol] |
| H-Bond Donor: | 2 | H-Bond Acceptor: | 3 |
InChIKey: WAPLXGPARWRGJO-UHFFFAOYSA-N
IUPAC Name: 3-[isocyano-(4-methylphenyl)sulfonylmethyl]thiophene | CAS Registry Number: 263389-44-2| Molecular Formula: | C13H11NO2S2 | Molecular Weight: | 277.361940 [g/mol] |
| H-Bond Donor: | 0 | H-Bond Acceptor: | 4 |
InChIKey: GAHAOIVMWHDBMX-UHFFFAOYSA-N
IUPAC Name: 3,3-dimethoxy-2-(methoxymethyl)propanenitrile | CAS Registry Number: 1608-83-9| Molecular Formula: | C7H13NO3 | Molecular Weight: | 159.183020 [g/mol] |
| H-Bond Donor: | 0 | H-Bond Acceptor: | 4 |
InChIKey: ZOGALNPAGNDURI-UHFFFAOYSA-N
IUPAC Name: 1-isoquinolin-3-ylethanol | CAS Registry Number: 58794-05-1| Molecular Formula: | C11H11NO | Molecular Weight: | 173.211140 [g/mol] |
| H-Bond Donor: | 1 | H-Bond Acceptor: | 2 |
InChIKey: AHFNTGSCVZVNPP-UHFFFAOYSA-N
IUPAC Name: 1-isocyanonaphthalene | CAS Registry Number: 1984-04-9| Molecular Formula: | C11H7N | Molecular Weight: | 153.179980 [g/mol] |
| H-Bond Donor: | 0 | H-Bond Acceptor: | 1 |
InChIKey: PTCSLGONLAYNQB-UHFFFAOYSA-N
IUPAC Name: 2-hydroxy-1,2-di(pyridin-2-yl)ethanone | CAS Registry Number: 1141-06-6| Molecular Formula: | C12H10N2O2 | Molecular Weight: | 214.220000 [g/mol] |
| H-Bond Donor: | 1 | H-Bond Acceptor: | 4 |
InChIKey: ZKBDAJDDDOIASC-UHFFFAOYSA-N
IUPAC Name: 2-thiophen-2-yl-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene | CAS Registry Number: 88493-55-4| Molecular Formula: | C24H14S6 | Molecular Weight: | 494.757960 [g/mol] |
| H-Bond Donor: | 0 | H-Bond Acceptor: | 6 |
InChIKey: KUJYDIFFRDAYDH-UHFFFAOYSA-N
IUPAC Name: 1,2-difluoro-3-[isocyano-(4-methylphenyl)sulfonylmethyl]benzene | CAS Registry Number: 660431-67-4| Molecular Formula: | C15H11F2NO2S | Molecular Weight: | 307.315146 [g/mol] |
| H-Bond Donor: | 0 | H-Bond Acceptor: | 5 |
InChIKey: WGVYWHBARPHMBW-UHFFFAOYSA-N
IUPAC Name: 2,4-difluoro-1-[isocyano-(4-methylphenyl)sulfonylmethyl]benzene | CAS Registry Number: 660431-66-3| Molecular Formula: | C15H11F2NO2S | Molecular Weight: | 307.315146 [g/mol] |
| H-Bond Donor: | 0 | H-Bond Acceptor: | 5 |
InChIKey: JULOFCZKOQFMRJ-UHFFFAOYSA-N
IUPAC Name: 1,4-difluoro-2-[isocyano-(4-methylphenyl)sulfonylmethyl]benzene | CAS Registry Number: 668981-01-9| Molecular Formula: | C15H11F2NO2S | Molecular Weight: | 307.315146 [g/mol] |
| H-Bond Donor: | 0 | H-Bond Acceptor: | 5 |
InChIKey: SYHMCIYCFACHBI-UHFFFAOYSA-N
IUPAC Name: 1,3-difluoro-2-[isocyano-(4-methylphenyl)sulfonylmethyl]benzene | CAS Registry Number: 668990-76-9| Molecular Formula: | C15H11F2NO2S | Molecular Weight: | 307.315146 [g/mol] |
| H-Bond Donor: | 0 | H-Bond Acceptor: | 5 |
InChIKey: XRZVJWVIFPCZCL-UHFFFAOYSA-N
IUPAC Name: 1,2-difluoro-4-[isocyano-(4-methylphenyl)sulfonylmethyl]benzene | CAS Registry Number: 321345-37-3| Molecular Formula: | C15H11F2NO2S | Molecular Weight: | 307.315146 [g/mol] |
| H-Bond Donor: | 0 | H-Bond Acceptor: | 5 |
InChIKey: DUHMNGGUXBLMCW-UHFFFAOYSA-N
IUPAC Name: 4-[isocyano-(4-methylphenyl)sulfonylmethyl]-1,2-dimethoxybenzene | CAS Registry Number: 71146-67-3| Molecular Formula: | C17H17NO4S | Molecular Weight: | 331.386180 [g/mol] |
| H-Bond Donor: | 0 | H-Bond Acceptor: | 5 |
InChIKey: BBHGJASHMFZDSX-UHFFFAOYSA-N
IUPAC Name: 1-(iodomethyl)-3-[isocyano-(4-methylphenyl)sulfonylmethyl]benzene | CAS Registry Number: 655254-56-1| Molecular Formula: | C16H14INO2S | Molecular Weight: | 411.257330 [g/mol] |
| H-Bond Donor: | 0 | H-Bond Acceptor: | 3 |
InChIKey: GVGUWDOSVAINIM-UHFFFAOYSA-N
IUPAC Name: 1-[[4-(iodomethyl)phenyl]-isocyanomethyl]sulfonyl-4-methylbenzene | CAS Registry Number: 655254-68-5| Molecular Formula: | C16H14INO2S | Molecular Weight: | 411.257330 [g/mol] |
| H-Bond Donor: | 0 | H-Bond Acceptor: | 3 |
InChIKey: FYWRJNIPLVUVHS-UHFFFAOYSA-N
IUPAC Name: 5-fluoro-1H-indole | CAS Registry Number: 68168-23-0| Molecular Formula: | C8H6FN | Molecular Weight: | 135.138343 [g/mol] |
| H-Bond Donor: | 1 | H-Bond Acceptor: | 1 |
InChIKey: ODFFPRGJZRXNHZ-UHFFFAOYSA-N
IUPAC Name: (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;2,2,2-trifluoroacetic acid | CAS Registry Number: 941678-50-8| Molecular Formula: | C19H19F3N6O2 | Molecular Weight: | 420.388370 [g/mol] |
| H-Bond Donor: | 2 | H-Bond Acceptor: | 9 |
InChIKey: YCYDUYFWWXXNRP-XFULWGLBSA-N
IUPAC Name: [(3aR,6R,6aR)-5-(hydroxymethyl)-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol | CAS Registry Number: 72261-44-0| Molecular Formula: | C16H22O6 | Molecular Weight: | 310.342280 [g/mol] |
| H-Bond Donor: | 2 | H-Bond Acceptor: | 6 |
InChIKey: QVXXTLFHRGMIHD-MCIONIFRSA-N
IUPAC Name: thiolan-2-one | CAS Registry Number: 1003-10-7| Molecular Formula: | C4H6OS | Molecular Weight: | 102.154840 [g/mol] |
| H-Bond Donor: | 0 | H-Bond Acceptor: | 1 |
InChIKey: KMSNYNIWEORQDJ-UHFFFAOYSA-N
IUPAC Name: 1-O-tert-butyl 6-O-methyl 3-iodoindole-1,6-dicarboxylate | CAS Registry Number: 850374-94-6| Molecular Formula: | C15H16INO4 | Molecular Weight: | 401.196310 [g/mol] |
| H-Bond Donor: | 0 | H-Bond Acceptor: | 4 |
InChIKey: KFPCBJZNHXTGHX-UHFFFAOYSA-N