HCID12511318

1-(3-hydroxy-1-methyl-1H-indol-2-yl)-2-(methylsulfonyl)ethanone

1-(3-hydroxy-1-methylindol-2-yl)-2-methylsulfonylethanone

C12H13NO4S267.3 g/mol

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IDENTITY

结构与身份

标准SMILES: Cn1c(C(=O)CS(C)(=O)=O)c(O)c2ccccc21
InChIKey: GYOVITJACUSHFM-UHFFFAOYSA-N
分子式: C12H13NO4S
平均分子量: 267.3 g/mol
单同位素质量: 267.05652907

COMPUTED

结构计算性质

已同步

XLogP: 1.6
极性表面积: 84.8 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 3
重原子: 18
形式电荷: 0
复杂度: 428

ALIASES

名称与别名

共 5 条

SCHEMBL11411926GYOVITJACUSHFM-UHFFFAOYSA-N1-(3-hydroxy-1-methyl-1H-indol-2-yl)-2-(methylsulfonyl) ethanone1-(3-hydroxy-1-methyl-1H-indol-2-yl)-2-(methylsulfonyl)ethanone1-(3-hydroxy-1-methyl-1H-indol-2yl)-2-(methylsulfonyl) ethanone

REACTIONS

参与反应

5 条

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

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uspto-grants-1978_05 · 10.6084/m9.figshare.5104873.v1 · US04087443

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uspto-grants-1977_06 · 10.6084/m9.figshare.5104873.v1 · US04028383

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uspto-grants-1980_02 · 10.6084/m9.figshare.5104873.v1 · US04188326

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uspto-grants-1978_08 · 10.6084/m9.figshare.5104873.v1 · US04110464

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