Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- O=C(CCCl)N1CCc2ccccc21
- InChIKey
- LKCAABJNTGSTHY-UHFFFAOYSA-N
- 分子式
- C11H12ClNO
- 平均分子量
- 209.67 g/mol
- 单同位素质量
- 209.0607417
COMPUTED
结构计算性质
- XLogP
- 1.8
- 极性表面积
- 20.3 Ų
- 氢键供体
- 0
- 氢键受体
- 1
- 可旋转键
- 2
- 重原子
- 14
- 形式电荷
- 0
- 复杂度
- 219
ALIASES
名称与别名
64140-62-13-chloro-1-(2,3-dihydro-1H-indol-1-yl)propan-1-oneDTXSID90383475RefChem:278048DTXCID603344991-(3-chloropropanoyl)indoline3-Chloro-1-(indolin-1-yl)propan-1-one3-chloro-1-(2,3-dihydroindol-1-yl)propan-1-oneMFCD004635621H-Indole, 1-(3-chloro-1-oxopropyl)-2,3-dihydro-chloropropionylindolineSCHEMBL4637311LKCAABJNTGSTHY-UHFFFAOYSA-NALBB-019020STK996990AKOS000118111SB648953-chloro-1-indolin-1-yl-propan-1-ones12060NCGC00660490-01
REACTIONS