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
- O=C(c1cc2nccc(Cl)c2s1)N1CCCC1
- InChIKey
- OKCMGTGQOJQMOW-UHFFFAOYSA-N
- 分子式
- C12H11ClN2OS
- 平均分子量
- 266.75 g/mol
- 单同位素质量
- 266.0280618
COMPUTED
结构计算性质
- XLogP
- 2.9
- 极性表面积
- 61.4 Ų
- 氢键供体
- 0
- 氢键受体
- 3
- 可旋转键
- 1
- 重原子
- 17
- 形式电荷
- 0
- 复杂度
- 309
ALIASES
名称与别名
SCHEMBL307245OKCMGTGQOJQMOW-UHFFFAOYSA-NDB-110704(7-Chlorothieno[3,2-b]pyridin-2-yl)(pyrrolidin-1-yl)methanone(7Chloro-thieno[3,2-b]pyridin-2-yl)-pyrrolidin-1-yl-methanone(7-Chloro-thieno[3,2-b]pyridin-2-yl)-pyrrolidin-1-yl-methanone380235-37-0
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
查看uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08093264B2
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查看uspto-grants-2010_08 · 10.6084/m9.figshare.5104873.v1 · US07772247B2
查看uspto-grants-2010_08 · 10.6084/m9.figshare.5104873.v1 · US07772247B2
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