| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 26th, 2010 | 17 | No |
Popular Name: 3-[ethyl-[(3-nitrophenyl)methyl]amino]propanenitrile 3-[ethyl-[(3-nitrophenyl)methyl]…
| 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) | 1.51 | 6.82 | -11.19 | 0 | 5 | 0 | 73 | 233.271 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.51 | 8.96 | -60.69 | 1 | 5 | 1 | 74 | 234.279 | 6 | ↓ |
