In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2008 | 17 | Yes |
Popular Name: 4-[(2-hydroxybenzyl)amino]benzonitrile 4-[(2-hydroxybenzyl)amino]benzon…
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CAS Number: [622400-17-3]
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) | 2.89 | 4.82 | -8.83 | 2 | 3 | 0 | 56 | 224.263 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.89 | 5.44 | -39.29 | 1 | 3 | -1 | 59 | 223.255 | 3 | ↓ |