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
- Nc1ccc(-c2cccc3c2CC(=O)N3)cn1
- InChIKey
- NJTDGKUTEBKTGA-UHFFFAOYSA-N
- 分子式
- C13H11N3O
- 平均分子量
- 225.25 g/mol
- 单同位素质量
- 225.09021198
COMPUTED
结构计算性质
- XLogP
- 1
- 极性表面积
- 68 Ų
- 氢键供体
- 2
- 氢键受体
- 3
- 可旋转键
- 1
- 重原子
- 17
- 形式电荷
- 0
- 复杂度
- 307
ALIASES
名称与别名
SCHEMBL5830692NJTDGKUTEBKTGA-UHFFFAOYSA-N4-(6-Aminopyridin-3-yl)-1,3-dihydroindol-2-one4-(6-amino-pyridin-3-yl)-1,3-dihydroindol-2-one
REACTIONS
参与反应
uspto-grants-2003_10 · 10.6084/m9.figshare.5104873.v1 · US06635640B2
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查看uspto-grants-2003_10 · 10.6084/m9.figshare.5104873.v1 · US06635640B2
查看uspto-grants-2006_05 · 10.6084/m9.figshare.5104873.v1 · US07053086B2
查看uspto-grants-2006_05 · 10.6084/m9.figshare.5104873.v1 · US07053086B2
查看uspto-grants-2006_05 · 10.6084/m9.figshare.5104873.v1 · US07053086B2
查看Training data from https://doi.org/10.1039/C8SC04228D (10/10) · 10.1039/C8SC04228D
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