Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
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IDENTITY
结构与身份
- 标准SMILES
- NCc1c(-c2ncco2)n(-c2ccccc2)c2cc(Cl)ccc2c1=O
- InChIKey
- RFFYQZODWJBQDD-UHFFFAOYSA-N
- 分子式
- C19H14ClN3O2
- 平均分子量
- 351.8 g/mol
- 单同位素质量
- 351.0774544
COMPUTED
结构计算性质
- XLogP
- 3.4
- 极性表面积
- 72.4 Ų
- 氢键供体
- 1
- 氢键受体
- 5
- 可旋转键
- 3
- 重原子
- 25
- 形式电荷
- 0
- 复杂度
- 547
ALIASES
名称与别名
SCHEMBL14575843RFFYQZODWJBQDD-UHFFFAOYSA-N3-aminomethyl-7-chloro-2-oxazol-2-yl-1-phenyl-1H-quinolin-4-one
REACTIONS
相关反应
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D
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uspto-grants-2013_08 · 10.6084/m9.figshare.5104873.v1 · US08501732B2
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