HCID18455622

5-(2-hydroxyethoxy)-1H-indole-2-carboxylic acid

C11H11NO4221.21 g/mol

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IDENTITY

结构与身份

标准SMILES: O=C(O)c1cc2cc(OCCO)ccc2[nH]1
InChIKey: SZWCTYNCYXFHLB-UHFFFAOYSA-N
分子式: C11H11NO4
平均分子量: 221.21 g/mol
单同位素质量: 221.06880783

COMPUTED

结构计算性质

已同步

XLogP: 1.6
极性表面积: 82.6 Å²
氢键供体: 3
氢键受体: 4
可旋转键: 4
重原子: 16
形式电荷: 0
复杂度: 258

ALIASES

名称与别名

共 6 条

885227-03-25-(2-hydroxyethoxy)-1H-indole-2-carboxylic acidSCHEMBL3033147SZWCTYNCYXFHLB-UHFFFAOYSA-NDA-387775-[(2-Hydroxyethyl)oxy]-1H-indole-2-carboxylic acid

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-2012_11 · 10.6084/m9.figshare.5104873.v1 · US08304419B2

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uspto-grants-2012_11 · 10.6084/m9.figshare.5104873.v1 · US08304419B2

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uspto-grants-2010_05 · 10.6084/m9.figshare.5104873.v1 · US07718688B2

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

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