Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- N#CC1(c2ccc3ncccc3c2)CC1
- InChIKey
- YNNICWJGRNWWFW-UHFFFAOYSA-N
- 分子式
- C13H10N2
- 平均分子量
- 194.23 g/mol
- 单同位素质量
- 194.08439833
COMPUTED
结构计算性质
- XLogP
- 2.2
- 极性表面积
- 36.7 Ų
- 氢键供体
- 0
- 氢键受体
- 2
- 可旋转键
- 1
- 重原子
- 15
- 形式电荷
- 0
- 复杂度
- 297
ALIASES
名称与别名
1-(Quinolin-6-yl)cyclopropanecarbonitrile1006875-93-91-(quinolin-6-yl)cyclopropane-1-carbonitrileSCHEMBL836451YNNICWJGRNWWFW-UHFFFAOYSA-N1-quinolin-6-ylcyclopropanecarbonitrileDB-180351EN300-1850038
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
查看uspto-grants-2010_08 · 10.6084/m9.figshare.5104873.v1 · US07767675B2
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查看uspto-grants-2012_03 · 10.6084/m9.figshare.5104873.v1 · US08143251B2
查看uspto-grants-2012_03 · 10.6084/m9.figshare.5104873.v1 · US08143251B2
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