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
- COc1ccc2cc(C3CCCCC3)sc2c1
- InChIKey
- WKAMTGQNHZKILO-UHFFFAOYSA-N
- 分子式
- C15H18OS
- 平均分子量
- 246.4 g/mol
- 单同位素质量
- 246.10783637
COMPUTED
结构计算性质
- XLogP
- 5.1
- 极性表面积
- 37.5 Ų
- 氢键供体
- 0
- 氢键受体
- 2
- 可旋转键
- 2
- 重原子
- 17
- 形式电荷
- 0
- 复杂度
- 249
ALIASES
名称与别名
SCHEMBL4438841WKAMTGQNHZKILO-UHFFFAOYSA-N6-methoxy-2-cyclohexylbenzo[b]thiophene2-Cyclohexyl-6-methoxy-benzo[b]thiophene
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
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