| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 25th, 2009 | 17 | No |
Popular Name: 5-(4-Nitrophenyl)cyclohexane-1,3-dione 5-(4-Nitrophenyl)cyclohexane-1,3…
Find On: PubMed — Wikipedia — Google
CAS Number: [55579-75-4]
| 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) | 2.10 | 7.01 | -40.96 | 0 | 5 | -1 | 86 | 232.215 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.10 | 7.12 | -40.69 | 0 | 5 | -1 | 86 | 232.215 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.10 | 5.3 | -14.99 | 1 | 5 | 0 | 83 | 233.223 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.10 | 5.29 | -14.99 | 1 | 5 | 0 | 83 | 233.223 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.35 | 7.21 | -16.47 | 0 | 5 | 0 | 80 | 233.223 | 2 | ↓ |
