Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- NCC(NC(=O)OCc1ccccc1)C(=O)O
- InChIKey
- FOXRXVSTFGNURG-UHFFFAOYSA-N
- 分子式
- C11H14N2O4
- 平均分子量
- 238.24 g/mol
- 单同位素质量
- 238.09535693
COMPUTED
结构计算性质
- XLogP
- -2.2
- 极性表面积
- 102 Ų
- 氢键供体
- 3
- 氢键受体
- 5
- 可旋转键
- 6
- 重原子
- 17
- 形式电荷
- 0
- 复杂度
- 264
GHS
GHS分类
GHS Classification
Not Classified;Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.
HAZARDS
危害信息
Hazard Classes and Categories
Not Classified
ALIASES
名称与别名
REACTIONS
相关反应
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