uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08536165B2
查看IDENTITY
结构与身份
- 标准SMILES
- COc1cccc(-c2ncc([N+](=O)[O-])cc2-c2ccccc2)c1
- InChIKey
- CBPVXAALLGRKGU-UHFFFAOYSA-N
- 分子式
- C18H14N2O3
- 平均分子量
- 306.3 g/mol
- 单同位素质量
- 306.10044231
COMPUTED
结构计算性质
- XLogP
- 3.9
- 极性表面积
- 67.9 Ų
- 氢键供体
- 0
- 氢键受体
- 4
- 可旋转键
- 3
- 重原子
- 23
- 形式电荷
- 0
- 复杂度
- 392
ALIASES
名称与别名
SCHEMBL2404670CBPVXAALLGRKGU-UHFFFAOYSA-N2-(3-methoxyphenyl)-5-nitro-3-phenylpyridine2-(3-Methoxyphenyl)-5-nitro-3-phenyl pyridine
REACTIONS
相关反应
uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08536165B2
查看uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08536165B2
查看uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08536165B2
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Training data from https://doi.org/10.1039/C8SC04228D (10/10) · 10.1039/C8SC04228D
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