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
- CCCCC1CCc2cc(OC)ccc2C1=O
- InChIKey
- DTDOPUQZGWXJSU-UHFFFAOYSA-N
- 分子式
- C15H20O2
- 平均分子量
- 232.32 g/mol
- 单同位素质量
- 232.14632988
COMPUTED
结构计算性质
- XLogP
- 4
- 极性表面积
- 26.3 Ų
- 氢键供体
- 0
- 氢键受体
- 2
- 可旋转键
- 4
- 重原子
- 17
- 形式电荷
- 0
- 复杂度
- 262
物化、安全与法规信息正在同步。
ALIASES
名称与别名
SCHEMBL4853888DTDOPUQZGWXJSU-UHFFFAOYSA-N2-butyl-6-methoxy-3,4-dihydro-1(2H)-naphthalenone
REACTIONS
相关反应
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
查看Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
查看uspto-grants-2008_10 · 10.6084/m9.figshare.5104873.v1 · US07432284B2
查看uspto-grants-2008_10 · 10.6084/m9.figshare.5104873.v1 · US07432284B2
查看uspto-grants-2008_10 · 10.6084/m9.figshare.5104873.v1 · US07432284B2
查看uspto-grants-2008_10 · 10.6084/m9.figshare.5104873.v1 · US07432284B2
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