| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 18 | No |
Popular Name: 3-[(2-chloro-5-nitro-phenyl)methyl-ethyl-amino]propanenitrile 3-[(2-chloro-5-nitro-phenyl)meth…
| 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) | 2.14 | 7.34 | -9.98 | 0 | 5 | 0 | 73 | 267.716 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.14 | 9.1 | -53.06 | 1 | 5 | 1 | 74 | 268.724 | 6 | ↓ |
