HIT ID: HIT100777290
Cas No: 4775-80-8;20640-68-0
分子式: C11H13NO3S
分子量: 239.29
常用名: S-Phenylmercapturic acid
氢键受体数 (HBA): 3
氢键供体数 (HBD): 2
LogP: 1.0535799
IUPAC: (2R)-2-acetamido-3-(phenylsulfanyl)propanoic acid
IUPAC: (2R)-2-acetamido-3-(phenylsulfanyl)propanoic acid
SMILES: CC(=O)N[C@@H](CSc1ccccc1)C(O)=O
SMILES: CC(=O)N[C@@H](CSc1ccccc1)C(O)=O
InChI key: CICOZWHZVMOPJS-JTQLQIEISA-N