Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- Cn1c(Nc2ccc(O)cc2)nc2ccccc21
- InChIKey
- FUWGJBNHUZEESW-UHFFFAOYSA-N
- 分子式
- C14H13N3O
- 平均分子量
- 239.27 g/mol
- 单同位素质量
- 239.10586205
COMPUTED
结构计算性质
- XLogP
- 2.8
- 极性表面积
- 50.1 Ų
- 氢键供体
- 2
- 氢键受体
- 3
- 可旋转键
- 2
- 重原子
- 18
- 形式电荷
- 0
- 复杂度
- 278
物化、安全与法规信息正在同步。
ALIASES
名称与别名
SCHEMBL2486560FUWGJBNHUZEESW-UHFFFAOYSA-NDB-3960664-(1-methyl-1H-benzoimidazol-2-ylamino)-phenol4-[(1-Methyl-1H-benzimidazol-2-yl)amino]phenol4-(1-methyl-1H-benzo[d]imidazol-2-ylamino)phenol1227176-83-1
REACTIONS
相关反应
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