Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看![7-(2-Fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine 分子结构式](/api/mol/59424682/svg/360x280.svg)
IDENTITY
结构与身份
- 标准SMILES
- O=[N+]([O-])c1ccc(Oc2ccnc3ccsc23)c(F)c1
- InChIKey
- YWIZJSODCFXCBY-UHFFFAOYSA-N
- 分子式
- C13H7FN2O3S
- 平均分子量
- 290.27 g/mol
- 单同位素质量
- 290.01614143
COMPUTED
结构计算性质
- XLogP
- 3.4
- 极性表面积
- 96.2 Ų
- 氢键供体
- 0
- 氢键受体
- 6
- 可旋转键
- 2
- 重原子
- 20
- 形式电荷
- 0
- 复杂度
- 368
ALIASES
名称与别名
SCHEMBL307534SCHEMBL27869173YWIZJSODCFXCBY-UHFFFAOYSA-N7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
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uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08093264B2
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uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08093264B2
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uspto-grants-2010_08 · 10.6084/m9.figshare.5104873.v1 · US07772247B2
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uspto-grants-2013_06 · 10.6084/m9.figshare.5104873.v1 · US08470850B2
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Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D
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uspto-grants-2010_09 · 10.6084/m9.figshare.5104873.v1 · US07790729B2
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