In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 12th, 2008 | 16 | Yes |
Popular Name: 1-Hydroxyibuprofen 1-Hydroxyibuprofen
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CAS Number: 53949-53-4
2-[4-(1-hydroxy-2-methylpropyl)phenyl]propanoic acid
Benzeneacetic acid, 4-(1-hydroxy-2-methylpropyl)--alpha--methyl- (9CI)
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) | 2.47 | 5.98 | -47.59 | 1 | 3 | -1 | 60 | 221.276 | 4 | ↓ |