| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 12th, 2009 | 21 | Yes |
Popular Name: 2-[2-(4-methoxyphenyl)-2-oxoethyl]-5,5-dimethylcyclohexane-1,3-dione 2-[2-(4-methoxyphenyl)-2-oxoethy…
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CAS Number: 112404-28-1
| 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) | 2.06 | 8.83 | -11.56 | 0 | 4 | 0 | 60 | 288.343 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.64 | 7.4 | -44.56 | 0 | 4 | -1 | 66 | 287.335 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
