750 AstraZeneca ELN dataset
查看IDENTITY
结构与身份
- 标准SMILES
- Nc1c(Cl)ccc2c1OCO2
- InChIKey
- YUTNKFUXNHFBGS-UHFFFAOYSA-N
- 分子式
- C7H6ClNO2
- 平均分子量
- 171.583 g/mol
- 单同位素质量
- 171.00870611
扩展信息尚未完成同步。
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
查看uspto-grants-2010_04 · 10.6084/m9.figshare.5104873.v1 · US07696214B2
查看uspto-grants-2010_04 · 10.6084/m9.figshare.5104873.v1 · US07696214B2
查看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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
查看uspto-grants-2014_05 · 10.6084/m9.figshare.5104873.v1 · US08735584B2
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