| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 4th, 2010 | 12 | Yes |
Popular Name: Benzonitrile, 4-(1,3-butadiynyl)- (9CI) Benzonitrile, 4-(1,3-butadiynyl)…
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CAS Number: 221641-62-9
| 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) | 2.05 | 7.57 | -7.67 | 0 | 1 | 0 | 24 | 151.168 | 0 | ↓ |
