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
- CNCCCCOc1ccc2c(ccn2-c2ccc(F)cc2)c1
- InChIKey
- NAMPSSBIGWULLK-UHFFFAOYSA-N
- 分子式
- C19H21FN2O
- 平均分子量
- 312.4 g/mol
- 单同位素质量
- 312.16379146
COMPUTED
结构计算性质
- XLogP
- 4
- 极性表面积
- 26.2 Ų
- 氢键供体
- 1
- 氢键受体
- 3
- 可旋转键
- 7
- 重原子
- 23
- 形式电荷
- 0
- 复杂度
- 346
ALIASES
名称与别名
SCHEMBL5735267NAMPSSBIGWULLK-UHFFFAOYSA-N{4-[1-(4-Fluoro-phenyl)-1H-indol-5-yloxy]-butyl}-methyl-amine{4-[1-(4-Fluoro-phenyl)-1H-indol-5-yloxy]-butyl}-methylamine
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
查看Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
查看Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D
查看uspto-grants-2003_01 · 10.6084/m9.figshare.5104873.v1 · US06503907B2
查看uspto-grants-2003_01 · 10.6084/m9.figshare.5104873.v1 · US06503907B2
查看uspto-grants-2003_01 · 10.6084/m9.figshare.5104873.v1 · US06503907B2
查看uspto-grants-2003_01 · 10.6084/m9.figshare.5104873.v1 · US06503907B2
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