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
- COc1cn(-c2ccc(I)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O
- InChIKey
- ZAQMYXUQFUTLQE-UHFFFAOYSA-N
- 分子式
- C20H14FIN4O2
- 平均分子量
- 488.3 g/mol
- 单同位素质量
- 488.01455
COMPUTED
结构计算性质
- XLogP
- 4.5
- 极性表面积
- 59.7 Ų
- 氢键供体
- 0
- 氢键受体
- 6
- 可旋转键
- 4
- 重原子
- 28
- 形式电荷
- 0
- 复杂度
- 652
ALIASES
名称与别名
SCHEMBL518973ZAQMYXUQFUTLQE-UHFFFAOYSA-N1-(2-fluoro-4-iodophenyl)-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
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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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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 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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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
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