HRID108629
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
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结构与身份
- 标准 SMILES
- Cc1sc(C(=O)O)cc1-c1c(Cl)cnn1C
- InChIKey
- FRSOEBAWKQIALR-UHFFFAOYSA-N
- 分子式
- C10H9ClN2O2S
- 平均分子量
- 256.71 g/mol
- 单同位素质量
- 256.0073264
COMPUTED
结构计算性质
- XLogP
- 2.5
- 极性表面积
- 83.4 Ų
- 氢键供体
- 1
- 氢键受体
- 4
- 可旋转键
- 2
- 重原子
- 16
- 形式电荷
- 0
- 复杂度
- 292
ALIASES
名称与别名
SCHEMBL1529826FRSOEBAWKQIALR-UHFFFAOYSA-N4-(4-chloro-1-methyl-1H-pyrazol-5-yl)-5-methyl-2-thiophenecarboxylic acid
REACTIONS
参与反应
HRID110576
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
作为反应物
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 (6/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看条件与参与物HRID669198
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
查看条件与参与物HRID1845462
uspto-grants-2015_02
作为生成物
uspto-grants-2015_02 · 10.6084/m9.figshare.5104873.v1 · US08946278B2
查看条件与参与物HRID1845463
uspto-grants-2015_02
作为反应物
uspto-grants-2015_02 · 10.6084/m9.figshare.5104873.v1 · US08946278B2
查看条件与参与物HRID1845575
uspto-grants-2015_02
作为生成物
uspto-grants-2015_02 · 10.6084/m9.figshare.5104873.v1 · US08946278B2
查看条件与参与物HRID1845576
uspto-grants-2015_02
作为反应物
uspto-grants-2015_02 · 10.6084/m9.figshare.5104873.v1 · US08946278B2
查看条件与参与物