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

参与反应

118 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物

HRID 97850 方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物

HRID 100783 方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物

HRID 101114 方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物

HRID 118784 方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物

HRID 119902 方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物

HRID 123784 方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为反应物

HRID 152859 方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为反应物

HRID 156293 方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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