| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 25th, 2006 | 21 | No |
Popular Name: 2-(2-(4-chloro-3-methylphenyl)-2-oxoethyl)-5,5-dimethylcyclohexane-1,3-dione 2-(2-(4-chloro-3-methylphenyl)-2…
Find On: PubMed — Wikipedia — Google
CAS Number: 1022759-84-7
| 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) | 3.64 | 9.17 | -40.71 | 0 | 3 | -1 | 57 | 305.781 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.06 | 10.3 | -18.7 | 0 | 3 | 0 | 51 | 306.789 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.64 | 7.75 | -11.92 | 1 | 3 | 0 | 54 | 306.789 | 3 | ↓ |
