| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 12th, 2004 | 11 | No |
Popular Name: 2-Acetyl-cyclohexane-1,3-dione 2-Acetyl-cyclohexane-1,3-dione
Find On: PubMed — Wikipedia — Google
CAS Numbers: 4056-73-9 , [4056-73-9]
| 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) | 0.06 | 3.4 | -46.33 | 0 | 3 | -1 | 57 | 153.157 | 0 | ↓ |
| Hi High (pH 8-9.5) | 1.31 | 4.46 | -46.1 | 1 | 4 | -1 | 73 | 194.21 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.06 | 0.11 | -8.96 | 1 | 3 | 0 | 54 | 154.165 | 1 | ↓ |
