| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 13th, 2008 | 18 | Yes |
Popular Name: 3-[(5-chloro-2-hydroxybenzyl)amino]benzonitrile 3-[(5-chloro-2-hydroxybenzyl)ami…
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CAS Number: [1021029-91-3]
| 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) | 3.52 | 5.15 | -9.21 | 2 | 3 | 0 | 56 | 258.708 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.52 | 5.94 | -35.7 | 1 | 3 | -1 | 59 | 257.7 | 3 | ↓ |
