HCID11197304

3-(6-Chloro-2-naphthyl)sulfonylpropionic acid

3-(6-chloronaphthalen-2-yl)sulfonylpropanoic acid

C13H11ClO4S298.74 g/mol

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IDENTITY

结构与身份

标准SMILES: O=C(O)CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1
InChIKey: FLEOKTLZKINDIE-UHFFFAOYSA-N
分子式: C13H11ClO4S
平均分子量: 298.74 g/mol
单同位素质量: 298.0066577

COMPUTED

结构计算性质

已同步

XLogP: 2.5
极性表面积: 79.8 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 4
重原子: 19
形式电荷: 0
复杂度: 428

ALIASES

名称与别名

共 11 条

CHEMBL6101743-((6-chloro-2-naphthyl)sulfonyl)propionic acid3-[(6-chloro-2-naphthyl)sulfonyl]propionic acidSCHEMBL947731FLEOKTLZKINDIE-UHFFFAOYSA-NBDBM50304623DB-1124193-(6-chloro-2-naphthyl)sulfonylpropionic acid3-((6-Chloro-2-naphthyl)sulfonyl)propanoic acid3-(6-chloronaphthalen-2-ylsulfonyl)propanoic acid392330-28-8

REACTIONS

参与反应

12 条

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) · 10.1039/C8SC04228D

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