Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
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IDENTITY
结构与身份
- 标准SMILES
- C[N+](C)=Cc1ccccc1
- InChIKey
- YKMAWNMXUQWMHZ-UHFFFAOYSA-N
- 分子式
- C9H12N+
- 平均分子量
- 134.2 g/mol
- 单同位素质量
- 134.09697439
COMPUTED
结构计算性质
- XLogP
- 1.6
- 极性表面积
- 3 Ų
- 氢键供体
- 0
- 氢键受体
- 0
- 可旋转键
- 1
- 重原子
- 10
- 形式电荷
- 1
- 复杂度
- 117
物化、安全与法规信息正在同步。
ALIASES
名称与别名
N-Methyl-N-(phenylmethylene)methanaminium19013-39-9RefChem:364571SCHEMBL7197516N,N-Dimethyl(phenyl)methaniminiumDTXSID501272384
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
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