| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 24th, 2008 | 16 | No |
Popular Name: 4-Cyclopropyl-2-mercapto-6-trifluoromethyl-nicotinonitrile 4-Cyclopropyl-2-mercapto-6-trifl…
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CAS Number: 869949-78-0
| 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) | 2.77 | 6.48 | -42.4 | 0 | 2 | -1 | 37 | 243.233 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.77 | 6.76 | -20.35 | 1 | 2 | 0 | 38 | 244.241 | 2 | ↓ |
