| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 30th, 2009 | 11 | No |
Popular Name: 1,4-Cyclohexadiene-1-carboxylic acid, 4,6-dimethyl- (9CI) 1,4-Cyclohexadiene-1-carboxylic …
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CAS Number: 307532-24-7
| 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) | 1.96 | 6.38 | -49.05 | 0 | 2 | -1 | 40 | 151.185 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.96 | 4.39 | -5.15 | 1 | 2 | 0 | 37 | 152.193 | 1 | ↓ |
