| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 4th, 2010 | 11 | No |
Popular Name: Benzonitrile, 2-amino-4,5-dihydroxy- (9CI) Benzonitrile, 2-amino-4,5-dihydr…
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CAS Number: 114903-82-1
| 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) | 0.14 | -2.16 | -7.08 | 4 | 4 | 0 | 90 | 150.137 | 0 | ↓ |
| Hi High (pH 8-9.5) | 0.14 | -1.23 | -37.98 | 3 | 4 | -1 | 93 | 149.129 | 0 | ↓ |
