| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 6th, 2010 | 18 | Yes |
Popular Name: 4-(3-Nitrophenyl)-3-buten-2-one 4-(3-Nitrophenyl)-3-buten-2-one
Find On: PubMed — Wikipedia — Google
CAS Number: 138480-41-8
| 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) | 3.96 | 9.27 | -2.84 | 0 | 2 | 0 | 6 | 244.382 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.96 | 9.89 | -27.66 | 1 | 2 | 1 | 8 | 245.39 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.