HRID185747
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
作为生成物
Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看条件与参与物IDENTITY
结构与身份
- 标准 SMILES
- OCc1c(-c2c(Cl)cccc2Cl)noc1C1CCC1
- InChIKey
- AEPONNSXCOPPQF-UHFFFAOYSA-N
- 分子式
- C14H13Cl2NO2
- 平均分子量
- 298.2 g/mol
- 单同位素质量
- 297.032334
COMPUTED
结构计算性质
- XLogP
- 3.5
- 极性表面积
- 46.3 Ų
- 氢键供体
- 1
- 氢键受体
- 3
- 可旋转键
- 3
- 重原子
- 19
- 形式电荷
- 0
- 复杂度
- 304
ALIASES
名称与别名
SCHEMBL2003900AEPONNSXCOPPQF-UHFFFAOYSA-N[5-cyclobutyl-3-(2,6-dichlorophenyl)-4-isoxazolyl]methanol
REACTIONS
参与反应
HRID313046
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
查看条件与参与物HRID646007
uspto-grants-2010_04
作为生成物
uspto-grants-2010_04 · 10.6084/m9.figshare.5104873.v1 · US07705028B2
查看条件与参与物HRID646008
uspto-grants-2010_04
作为反应物
uspto-grants-2010_04 · 10.6084/m9.figshare.5104873.v1 · US07705028B2
查看条件与参与物HRID1219031
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D
查看条件与参与物HRID1538919
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
作为生成物
Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D
查看条件与参与物HRID1693651
uspto-grants-2012_04
作为生成物
uspto-grants-2012_04 · 10.6084/m9.figshare.5104873.v1 · US08158665B2
查看条件与参与物HRID1693652
uspto-grants-2012_04
作为反应物
uspto-grants-2012_04 · 10.6084/m9.figshare.5104873.v1 · US08158665B2
查看条件与参与物