HCID12067654

2-(3-Chloro-4-methanesulfonyl-phenyl)-3-cyclopentyl-propionic acid

2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanoic acid

C15H19ClO4S330.8 g/mol

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IDENTITY

结构与身份

标准SMILES: CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)O)cc1Cl
InChIKey: NVODVFUXRXQBQK-UHFFFAOYSA-N
分子式: C15H19ClO4S
平均分子量: 330.8 g/mol
单同位素质量: 330.069258

COMPUTED

结构计算性质

已同步

XLogP: 3.8
极性表面积: 79.8 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 5
重原子: 21
形式电荷: 0
复杂度: 465

ALIASES

名称与别名

共 4 条

SCHEMBL1171465NVODVFUXRXQBQK-UHFFFAOYSA-N2-(3-chloro-4-methanesulfonyl-phenyl)-3-cyclopentyl -propionic acid2-(3-chloro-4-methanesulfonyl-phenyl)-3-cyclopentyl-propionic acid

REACTIONS