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
- CO[NH3+]
- InChIKey
- HTGRPWLPIJGRKS-UHFFFAOYSA-N
- 分子式
- CH6NO+
- 平均分子量
- 48.065 g/mol
- 单同位素质量
- 48.04493882
COMPUTED
结构计算性质
- XLogP
- -0.7
- 极性表面积
- 36.9 Ų
- 氢键供体
- 1
- 氢键受体
- 1
- 可旋转键
- 0
- 重原子
- 3
- 形式电荷
- 1
- 复杂度
- 4
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
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