HIT ID: HIT212670293
Cas No: 1329643-44-8
分子式: C13H18O2
分子量: 209.303
常用名: (S)-(+)-Ibuprofen D3
氢键受体数 (HBA): 2
氢键供体数 (HBD): 1
LogP: 3.8435583
IUPAC: (2S)-2-[4-(2-methylpropyl)phenyl](3,3,3-2H3)propanoic acid
IUPAC: (2S)-2-[4-(2-methylpropyl)phenyl](3,3,3-2H3)propanoic acid
SMILES: [2H]C([2H])([2H])[C@H](C(O)=O)c1ccc(CC(C)C)cc1
SMILES: [2H]C([2H])([2H])[C@H](C(O)=O)c1ccc(CC(C)C)cc1
InChI key: HEFNNWSXXWATRW-PCXQMPHHSA-N