In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 4th, 2010 | 11 | No |
Popular Name: Benzonitrile, 5-formyl-2-hydroxy- (9CI) Benzonitrile, 5-formyl-2-hydroxy…
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CAS Number: 73289-79-9
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) | 1.40 | 2.61 | -39.42 | 0 | 3 | -1 | 64 | 146.125 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.40 | 1.83 | -9.9 | 1 | 3 | 0 | 61 | 147.133 | 1 | ↓ |