Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- Cc1ccc2c(c1)CC(=O)N2c1c(F)cccc1Cl
- InChIKey
- LFXMCCUTBWQOJG-UHFFFAOYSA-N
- 分子式
- C15H11ClFNO
- 平均分子量
- 275.7 g/mol
- 单同位素质量
- 275.0513198
COMPUTED
结构计算性质
- XLogP
- 3.6
- 极性表面积
- 20.3 Ų
- 氢键供体
- 0
- 氢键受体
- 2
- 可旋转键
- 1
- 重原子
- 19
- 形式电荷
- 0
- 复杂度
- 364
ALIASES
名称与别名
1-(2-CHLORO-6-FLUOROPHENYL)-5-METHYLINDOLIN-2-ONERefChem:907208SCHEMBL1033075LFXMCCUTBWQOJG-UHFFFAOYSA-N1-(2-Chloro-6-fluorophenyl)-5-methyl-1H-indole-2(3H)-oneN-(2'-chloro-6'-fluorophenyl)-5-methyloxindole1-(2-chloro-6-fluorophenyl)-5-methyl-3H-indol-2-one
REACTIONS
相关反应
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