| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2005 | 17 | No |
Popular Name: 3-[(3-Nitrophenyl)amino]cyclohex-2-en-1-one 3-[(3-Nitrophenyl)amino]cyclohex…
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 168564-50-9
| 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) | 2.44 | 0.85 | -21.76 | 1 | 5 | 0 | 74 | 232.239 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 187.5 - 189.5 | MolMall (formerly Molecular Diversity Preservation International) |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.