| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 19 | No |
Popular Name: 5,5-dimethyl-2-(2-oxo-2-phenylethyl)cyclohexane-1,3-dione 5,5-dimethyl-2-(2-oxo-2-phenylet…
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CAS Number: 37456-51-2
| 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) | 2.58 | 1 | -12.61 | 1 | 3 | 0 | 54 | 258.317 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.59 | 9.27 | -47.74 | 0 | 3 | -1 | 57 | 257.309 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.00 | 9.51 | -11.16 | 0 | 3 | 0 | 51 | 258.317 | 3 | ↓ |
