uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08541412B2
查看IDENTITY
结构与身份
- 标准SMILES
- O=C1OCCN1CCc1ccc([N+](=O)[O-])cc1
- InChIKey
- NJTQEHUAZXDDKT-UHFFFAOYSA-N
- 分子式
- C11H12N2O4
- 平均分子量
- 236.22 g/mol
- 单同位素质量
- 236.07970687
COMPUTED
结构计算性质
- XLogP
- 1.7
- 极性表面积
- 75.4 Ų
- 氢键供体
- 0
- 氢键受体
- 4
- 可旋转键
- 3
- 重原子
- 17
- 形式电荷
- 0
- 复杂度
- 294
ALIASES
名称与别名
3-[2-(4-Nitro-phenyl)-ethyl]-oxazolidin-2-oneSCHEMBL261037NJTQEHUAZXDDKT-UHFFFAOYSA-N
REACTIONS
参与反应
uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08541412B2
查看Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
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查看uspto-grants-2012_03 · 10.6084/m9.figshare.5104873.v1 · US08133889B2
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