| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2005 | 14 | No |
Popular Name: 2-Mercapto-4-methyl-6-trifluoromethyl-nicotinonitrile 2-Mercapto-4-methyl-6-trifluorom…
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CAS Number: 182127-90-8
| 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) | 2.87 | 1.99 | -42.96 | 0 | 2 | -1 | 37 | 217.195 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.87 | 2.07 | -22.46 | 1 | 2 | 0 | 38 | 218.203 | 1 | ↓ |
