Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- O=C(c1ccc(O)cc1)c1c(-c2ccc(Cl)cc2)oc2ccccc12
- InChIKey
- OIJMMFLFMZRDAO-UHFFFAOYSA-N
- 分子式
- C21H13ClO3
- 平均分子量
- 348.8 g/mol
- 单同位素质量
- 348.055322
COMPUTED
结构计算性质
- XLogP
- 5.6
- 极性表面积
- 50.4 Ų
- 氢键供体
- 1
- 氢键受体
- 3
- 可旋转键
- 3
- 重原子
- 25
- 形式电荷
- 0
- 复杂度
- 466
ALIASES
名称与别名
SCHEMBL11673100OIJMMFLFMZRDAO-UHFFFAOYSA-N2-(4-chlorophenyl)-3-(4-hydroxybenzoyl)-benzofuran2-(4-chlorophenyl)-3-(4-hydroxybenzoyl)benzofuran2-(4'-chlorophenyl)-3-(4'-hydroxybenzoyl)benzofuran
REACTIONS
参与反应
uspto-grants-1976_03 · 10.6084/m9.figshare.5104873.v1 · US03947470
查看uspto-grants-1976_03 · 10.6084/m9.figshare.5104873.v1 · US03947470
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查看Training data from https://doi.org/10.1039/C8SC04228D (10/10) · 10.1039/C8SC04228D
查看Training data from https://doi.org/10.1039/C8SC04228D (10/10) · 10.1039/C8SC04228D
查看uspto-grants-1977_05 · 10.6084/m9.figshare.5104873.v1 · US04024273
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