| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 8th, 2008 | 20 | No |
Popular Name: 4-(4-fluorophenyl)-2-mercapto-6-(trifluoromethyl)nicotinonitrile 4-(4-fluorophenyl)-2-mercapto-6-…
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CAS Numbers: , 438220-73-6 , 832741-30-7
2,3-dihydro-pyridine-3-carbonitrile
3-pyridinecarbonitrile, 4-(4-fluorophenyl)-2-mercapto-6-(trifluoromethyl)-
4-(4-Fluoro-phenyl)-2-thioxo-6-trifluoromethyl-
4-(4-Fluoro-phenyl)-2-thioxo-6-trifluoromethyl-2,3-dihydro-pyridine-3-carbonitrile
4-(4-Fluorophenyl)-2-mercapto-6-(trifluoromethyl)-nicotinonitrile
4-(4-fluorophenyl)-2-thioxo-6-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 4.38 | 2.92 | -41.19 | 0 | 2 | -1 | 37 | 297.256 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 4.38 | 2.98 | -21.41 | 1 | 2 | 0 | 38 | 298.264 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.