HCID68821422

(6-Hydroxy-indol-1-yl)-acetic acid ethyl ester

ethyl 2-(6-hydroxyindol-1-yl)acetate

C12H13NO3219.24 g/mol

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: CCOC(=O)Cn1ccc2ccc(O)cc21
InChIKey: FKGZONICJNDKNT-UHFFFAOYSA-N
分子式: C12H13NO3
平均分子量: 219.24 g/mol
单同位素质量: 219.08954328

COMPUTED

结构计算性质

已同步

XLogP: 2
极性表面积: 51.5 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 4
重原子: 16
形式电荷: 0
复杂度: 257

ALIASES

名称与别名

共 3 条

SCHEMBL3871316FKGZONICJNDKNT-UHFFFAOYSA-N(6-Hydroxy-indol-1-yl)-acetic acid ethyl ester

REACTIONS

参与反应

70 条

HRID 99098 反应方程式

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

HRID 123415 反应方程式

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

HRID 126370 反应方程式

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

HRID 151903 反应方程式

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

HRID 152334 反应方程式

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

HRID 169669 反应方程式

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

HRID 178516 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

HRID 199709 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D