| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2005 | 17 | No |
Popular Name: 3-((4-nitrophenyl)amino)cyclohex-2-en-1-one, 98% 3-((4-nitrophenyl)amino)cyclohex…
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CAS Number: 36646-76-1
| 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) | 2.46 | 0.87 | -13.17 | 1 | 5 | 0 | 74 | 232.239 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 190 - 192 | MolMall (formerly Molecular Diversity Preservation International) |
No pre-computed analogs available. Try a structural similarity search.