Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- c1cnc2c(c1)CNc1ccccc1N2
- InChIKey
- HRGUEPKMEFOQTK-UHFFFAOYSA-N
- 分子式
- C12H11N3
- 平均分子量
- 197.24 g/mol
- 单同位素质量
- 197.09529736
COMPUTED
结构计算性质
- XLogP
- 2.3
- 极性表面积
- 37 Ų
- 氢键供体
- 2
- 氢键受体
- 3
- 可旋转键
- 0
- 重原子
- 15
- 形式电荷
- 0
- 复杂度
- 219
ALIASES
名称与别名
6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepine16287-36-8SCHEMBL4162589HRGUEPKMEFOQTK-UHFFFAOYSA-NMFCD02178387AKOS040802652H530586,11-dihydropyrido[2,3-b][1,5]benzodiazepine6,1 1-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepine6,11-dihydro-5H-pyrido [2,3-b][1,5]benzodiazepine6,11-dihydro-5H-pyrido[2,3-b][1,5] benzodiazepine2,4,10-triazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaene
REACTIONS
相关反应
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