| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2009 | 17 | No |
Popular Name: 3-[(2-chloro-5-nitro-phenyl)methyl-methyl-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) | 1.76 | 6.46 | -9.49 | 0 | 5 | 0 | 73 | 253.689 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.76 | 8.8 | -55.34 | 1 | 5 | 1 | 74 | 254.697 | 5 | ↓ |
