uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08829195B2
查看IDENTITY
结构与身份
- 标准SMILES
- O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(Cl)c(I)c1
- InChIKey
- VAZBNQYUDAMOHF-UHFFFAOYSA-N
- 分子式
- C13H7ClF3IN2O2
- 平均分子量
- 442.56 g/mol
- 单同位素质量
- 441.91929
COMPUTED
结构计算性质
- XLogP
- 4.5
- 极性表面积
- 51.2 Ų
- 氢键供体
- 1
- 氢键受体
- 6
- 可旋转键
- 3
- 重原子
- 22
- 形式电荷
- 0
- 复杂度
- 392
ALIASES
名称与别名
6-chloro-5-iodo-N-(4-(trifluoromethoxy)phenyl)nicotinamideSCHEMBL15388382DB-2132966-Chloro-5-iodo-N-[4-(trifluoromethoxy)phenyl]-3-pyridinecarboxamide1488091-12-8
REACTIONS
参与反应
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