Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- CCCCCCCCCCCCOc1ccc(C=O)c2ccccc12
- InChIKey
- RKULVGXXEHLDJG-UHFFFAOYSA-N
- 分子式
- C23H32O2
- 平均分子量
- 340.5 g/mol
- 单同位素质量
- 340.24023026
COMPUTED
结构计算性质
- XLogP
- 8.2
- 极性表面积
- 26.3 Ų
- 氢键供体
- 0
- 氢键受体
- 2
- 可旋转键
- 13
- 重原子
- 25
- 形式电荷
- 0
- 复杂度
- 341
ALIASES
名称与别名
SCHEMBL18560504-(dodecyloxy)-1-naphthaldehydeRKULVGXXEHLDJG-UHFFFAOYSA-N
REACTIONS
相关反应
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