| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 17th, 2004 | 18 | No |
Popular Name: 2-[2-(4-chlorophenyl)-2-oxoethyl]cyclohexane-1,3-dione 2-[2-(4-chlorophenyl)-2-oxoethyl…
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CAS Number: 321430-56-2
| 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) | 2.61 | -0.06 | -16.16 | 1 | 3 | 0 | 54 | 264.708 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.61 | 7.63 | -40.62 | 0 | 3 | -1 | 57 | 263.7 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.03 | 9.02 | -10.56 | 0 | 3 | 0 | 51 | 264.708 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 149 - 153 | KeyOrganics |
