uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08835432B2
查看IDENTITY
结构与身份
- 标准SMILES
- CCC(Nc1ccc(F)cc1[N+](=O)[O-])C(=O)O
- InChIKey
- YSDAMUPQEPBPQB-UHFFFAOYSA-N
- 分子式
- C10H11FN2O4
- 平均分子量
- 242.2 g/mol
- 单同位素质量
- 242.070285
COMPUTED
结构计算性质
- XLogP
- 2.9
- 极性表面积
- 95.2 Ų
- 氢键供体
- 2
- 氢键受体
- 6
- 可旋转键
- 4
- 重原子
- 17
- 形式电荷
- 0
- 复杂度
- 295
物化、安全与法规信息正在同步。
ALIASES
名称与别名
SCHEMBL4869513YSDAMUPQEPBPQB-UHFFFAOYSA-NAKOS0058349062-(4-fluoro-2-nitrophenylamino)butanoic acid2-((4-fluoro-2-nitrophenyl)amino)butanoic acid
REACTIONS
参与反应
uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08835432B2
查看Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
查看uspto-grants-2014_05 · 10.6084/m9.figshare.5104873.v1 · US08716290B2
查看uspto-grants-2014_05 · 10.6084/m9.figshare.5104873.v1 · US08716290B2
查看Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D
查看Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D
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