Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- COc1cc(-c2cc(CO)ccn2)cc(OC)c1OC
- InChIKey
- HXWUFXFGYHUGEF-UHFFFAOYSA-N
- 分子式
- C15H17NO4
- 平均分子量
- 275.3 g/mol
- 单同位素质量
- 275.11575802
COMPUTED
结构计算性质
- XLogP
- 1.5
- 极性表面积
- 60.8 Ų
- 氢键供体
- 1
- 氢键受体
- 5
- 可旋转键
- 5
- 重原子
- 20
- 形式电荷
- 0
- 复杂度
- 275
物化、安全与法规信息正在同步。
ALIASES
名称与别名
SCHEMBL4109868HXWUFXFGYHUGEF-UHFFFAOYSA-N4-Hydroxymethyl-2-(3,4,5-trimethoxyphenyl)pyridine4-hydroxymethyl-2-(3,4,5-trimethoxyphenyl)-pyridine
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
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