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
- CS(=O)(=O)Nc1ccc(CN)cc1
- InChIKey
- IZJVPNBRAKIMBK-UHFFFAOYSA-N
- 分子式
- C8H12N2O2S
- 平均分子量
- 200.26 g/mol
- 单同位素质量
- 200.0619488
COMPUTED
结构计算性质
- XLogP
- -0.2
- 极性表面积
- 80.6 Ų
- 氢键供体
- 2
- 氢键受体
- 4
- 可旋转键
- 3
- 重原子
- 13
- 形式电荷
- 0
- 复杂度
- 237
物化、安全与法规信息正在同步。
ALIASES
名称与别名
N-[4-(aminomethyl)phenyl]methanesulfonamide129872-50-0n-(4-(aminomethyl)phenyl)methanesulfonamideRY4SCHEMBL1752625SCHEMBL1752626DTXSID60375468AKOS000128720AT54617DB-012750EN300-57615
REACTIONS
相关反应
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