uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08530469B2
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IDENTITY
结构与身份
- 标准SMILES
- Clc1ccc2c(c1)CNC2
- InChIKey
- KDKRSWXFLFTSII-UHFFFAOYSA-N
- 分子式
- C8H8ClN
- 平均分子量
- 153.61 g/mol
- 单同位素质量
- 153.034527
COMPUTED
结构计算性质
- XLogP
- 1.5
- 极性表面积
- 12 Ų
- 氢键供体
- 1
- 氢键受体
- 1
- 可旋转键
- 0
- 重原子
- 10
- 形式电荷
- 0
- 复杂度
- 126
ALIASES
名称与别名
5-Chloroisoindoline127168-76-75-Chloro-2,3-dihydro-1H-isoindole1H-Isoindole, 5-chloro-2,3-dihydro-MFCD112235635- chloroisoindolineSCHEMBL329312SCHEMBL586165SCHEMBL3174767DTXSID00564157KDKRSWXFLFTSII-UHFFFAOYSA-NAB6849AKOS006308774SB64129AS-44804DA-13034CS-0443785EN300-153303F220308
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
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uspto-grants-2014_11 · 10.6084/m9.figshare.5104873.v1 · US08883790B2
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uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08101648B2
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uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08106057B2
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uspto-grants-2010_04 · 10.6084/m9.figshare.5104873.v1 · US07700625B2
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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D
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uspto-grants-2002_01 · 10.6084/m9.figshare.5104873.v1 · US06339093B1
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