| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 17th, 2004 | 14 | Yes |
Popular Name: 4-Pyridin-3-yl-benzonitrile 4-Pyridin-3-yl-benzonitrile
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CAS Number: 294648-03-6
| 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) | 2.42 | 2.31 | -7.85 | 0 | 2 | 0 | 37 | 180.21 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.42 | 2.42 | -42.31 | 1 | 2 | 1 | 38 | 181.218 | 1 | ↓ |
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