HCID67468089

6-cyano-3-methyl-1-(1-methylethyl)-1H-indole-4-carboxylic acid

6-cyano-3-methyl-1-propan-2-ylindole-4-carboxylic acid

C14H14N2O2242.27 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1cn(C(C)C)c2cc(C#N)cc(C(=O)O)c12
InChIKey: FZRWPLSGAITXCG-UHFFFAOYSA-N
分子式: C14H14N2O2
平均分子量: 242.27 g/mol
单同位素质量: 242.10552769

COMPUTED

结构计算性质

已同步

XLogP: 2.3
极性表面积: 66 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 2
重原子: 18
形式电荷: 0
复杂度: 385

ALIASES

名称与别名

共 6 条

SCHEMBL2593822FZRWPLSGAITXCG-UHFFFAOYSA-N1346576-53-1DB-4150136-cyano-1-isopropyl-3-methyl-1H-indole-4-carboxylic acid6-cyano-3-methyl-1-(1-methylethyl)-1H-indole-4-carboxylic acid

REACTIONS

参与反应

7 条

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08536179B2

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uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09446041B2

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uspto-grants-2015_08 · 10.6084/m9.figshare.5104873.v1 · US09114141B2

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uspto-grants-2016_01 · 10.6084/m9.figshare.5104873.v1 · US09242962B2

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uspto-grants-2015_03 · 10.6084/m9.figshare.5104873.v1 · US08975291B2

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Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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uspto-grants-2016_08 · 10.6084/m9.figshare.5104873.v1 · US09402836B2

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