Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
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IDENTITY
结构与身份
- 标准SMILES
- Nc1cccc(-c2n[nH]c(=O)c3ccccc23)c1
- InChIKey
- NFARCWSYFRPOOP-UHFFFAOYSA-N
- 分子式
- C14H11N3O
- 平均分子量
- 237.26 g/mol
- 单同位素质量
- 237.09021198
COMPUTED
结构计算性质
- XLogP
- 2
- 极性表面积
- 67.5 Ų
- 氢键供体
- 2
- 氢键受体
- 3
- 可旋转键
- 1
- 重原子
- 18
- 形式电荷
- 0
- 复杂度
- 366
ALIASES
名称与别名
4-(3-aminophenyl)-2H-phthalazin-1-one391894-28-34-(3-AMINOPHENYL)PHTHALAZIN-1(2H)-ONESCHEMBL6793296DTXSID80359129I77073
REACTIONS
相关反应
Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
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