| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2010 | 10 | Yes |
Popular Name: 1H-Azepine-3-carbonitrile, hexahydro-1-methyl- (9CI) 1H-Azepine-3-carbonitrile, hexah…
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CAS Number: 161959-11-1
| 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) | 1.41 | 5.48 | -43.21 | 1 | 2 | 1 | 28 | 139.222 | 0 | ↓ |
| Hi High (pH 8-9.5) | 1.41 | 3.44 | -3.93 | 0 | 2 | 0 | 27 | 138.214 | 0 | ↓ |
