Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- CC(Oc1ccc([N+](=O)[O-])c2ccccc12)c1ccnc(N)c1
- InChIKey
- HEHDMLJGMNLCAM-UHFFFAOYSA-N
- 分子式
- C17H15N3O3
- 平均分子量
- 309.32 g/mol
- 单同位素质量
- 309.11134135
COMPUTED
结构计算性质
- XLogP
- 3.4
- 极性表面积
- 94 Ų
- 氢键供体
- 1
- 氢键受体
- 5
- 可旋转键
- 3
- 重原子
- 23
- 形式电荷
- 0
- 复杂度
- 414
ALIASES
名称与别名
SCHEMBL1979489SCHEMBL12277496HEHDMLJGMNLCAM-UHFFFAOYSA-N4-(1-(4-Nitronaphthalen-1-yloxy)ethyl)pyridin-2-amine
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看uspto-grants-2015_03 · 10.6084/m9.figshare.5104873.v1 · US08975285B2
查看uspto-grants-2015_03 · 10.6084/m9.figshare.5104873.v1 · US08975285B2
查看uspto-grants-2013_12 · 10.6084/m9.figshare.5104873.v1 · US08618140B2
查看uspto-grants-2013_12 · 10.6084/m9.figshare.5104873.v1 · US08618140B2
查看uspto-grants-2012_10 · 10.6084/m9.figshare.5104873.v1 · US08293748B2
查看uspto-grants-2012_10 · 10.6084/m9.figshare.5104873.v1 · US08293748B2
查看