In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 2nd, 2005 | 17 | No |
Popular Name: Ozagrel methylester Ozagrel methylester
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CAS Numbers: 866157-50-8 , 870837-50-6 , [866157-50-8]
methyl (E)-3-[4-(1H-imidazol-1-yl)phenyl]-2-propenoate
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) | 1.86 | 8.78 | -10.35 | 0 | 4 | 0 | 44 | 228.251 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.86 | 9.28 | -39.08 | 1 | 4 | 1 | 45 | 229.259 | 4 | ↓ |