| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 31st, 2007 | 17 | Yes |
Popular Name: 2-(1-azepanyl)isophthalonitrile 2-(1-azepanyl)isophthalonitrile
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CAS Number: 882748-18-7
| 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 | 7.39 | -8.94 | 0 | 3 | 0 | 51 | 225.295 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 96 - 98 | KeyOrganics |
