| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2010 | 19 | Yes |
Popular Name: Benzonitrile, 4-(4-oxo-4H-1-benzopyran-2-yl)- (9CI) Benzonitrile, 4-(4-oxo-4H-1-benz…
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CAS Number: 55736-88-4
| 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) | 3.49 | 8.69 | -12.2 | 0 | 3 | 0 | 54 | 247.253 | 1 | ↓ |
