Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- CCOC(=O)c1cccc(Cc2cc(Cl)ccc2O)n1
- InChIKey
- WRDIVVWKTQUSIA-UHFFFAOYSA-N
- 分子式
- C15H14ClNO3
- 平均分子量
- 291.73 g/mol
- 单同位素质量
- 291.066221
COMPUTED
结构计算性质
- XLogP
- 3.6
- 极性表面积
- 59.4 Ų
- 氢键供体
- 1
- 氢键受体
- 4
- 可旋转键
- 5
- 重原子
- 20
- 形式电荷
- 0
- 复杂度
- 326
ALIASES
名称与别名
SCHEMBL2955012WRDIVVWKTQUSIA-UHFFFAOYSA-Nethyl 6-[(5-chloro-2-hydroxyphenyl)methyl]-2-pyridinecarboxylate
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
查看Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
查看uspto-grants-2010_07 · 10.6084/m9.figshare.5104873.v1 · US07759369B2
查看uspto-grants-2010_07 · 10.6084/m9.figshare.5104873.v1 · US07759369B2
查看uspto-grants-2010_07 · 10.6084/m9.figshare.5104873.v1 · US07759369B2
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