uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07094769B2
查看IDENTITY
结构与身份
- 标准SMILES
- Clc1nc(Cl)c2nc[nH]c2n1
- InChIKey
- RMFWVOLULURGJI-UHFFFAOYSA-N
- 分子式
- C5H2Cl2N4
- 平均分子量
- 189 g/mol
- 单同位素质量
- 187.9656515
COMPUTED
结构计算性质
- XLogP
- 1.7
- 极性表面积
- 54.5 Ų
- 氢键供体
- 1
- 氢键受体
- 3
- 可旋转键
- 0
- 重原子
- 11
- 形式电荷
- 0
- 复杂度
- 155
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
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