In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 7th, 2005 | 11 | No |
Popular Name: 6-Acetyl-3-methyl-2-cyclohexene-1-one 6-Acetyl-3-methyl-2-cyclohexene-…
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CAS Numbers: 180292-79-9 , 51742-11-1
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) | 1.45 | 5.44 | -54.19 | 0 | 2 | -1 | 40 | 151.185 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.45 | 3.02 | -12.04 | 1 | 2 | 0 | 37 | 152.193 | 0 | ↓ |
Mid Mid (pH 6-8) | 0.87 | 5.33 | -21.17 | 0 | 2 | 0 | 34 | 152.193 | 1 | ↓ |
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