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
- CC1(C)OB(c2ccc3c(c2)NCCC3)OC1(C)C
- InChIKey
- GIWFSESZFIZJQP-UHFFFAOYSA-N
- 分子式
- C15H22BNO2
- 平均分子量
- 259.15 g/mol
- 单同位素质量
- 259.1743591
COMPUTED
结构计算性质
- 极性表面积
- 30.5 Ų
- 氢键供体
- 1
- 氢键受体
- 3
- 可旋转键
- 1
- 重原子
- 19
- 形式电荷
- 0
- 复杂度
- 329
ALIASES
名称与别名
1235142-07-07-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroquinolineMFCD18383573Quinoline, 1,2,3,4-tetrahydro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,,3,4-trahydroquinoline7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,4-trahydroquinolineSCHEMBL595500SCHEMBL31222957GIWFSESZFIZJQP-UHFFFAOYSA-NAKOS027425374DA-30502CS-0189648D71864EN300-125803767-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroquinoline7-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,4-tetrahydroquinoline
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
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