In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2004 | 19 | Yes |
Popular Name: cis-2-(2,3-dimethylbenzoyl)cyclohexane-1-carboxylic acid cis-2-(2,3-dimethylbenzoyl)cyclo…
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CAS Numbers: 733742-67-1 , 733742-80-8
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) | 3.66 | 10.35 | -53.19 | 0 | 3 | -1 | 57 | 259.325 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.66 | 8.07 | -9.28 | 1 | 3 | 0 | 54 | 260.333 | 3 | ↓ |