Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- O=CCOCCCCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl
- InChIKey
- FZSKCMBHXGSJIM-UHFFFAOYSA-N
- 分子式
- C15H16Cl4O4
- 平均分子量
- 402.1 g/mol
- 单同位素质量
- 399.98027
COMPUTED
结构计算性质
- XLogP
- 5
- 极性表面积
- 44.8 Ų
- 氢键供体
- 0
- 氢键受体
- 4
- 可旋转键
- 11
- 重原子
- 23
- 形式电荷
- 0
- 复杂度
- 351
ALIASES
名称与别名
SCHEMBL6547846FZSKCMBHXGSJIM-UHFFFAOYSA-N4-(2,6-dichloro-4-(3,3-dichloro-2-propenyloxy)phenoxy)butyloxyacetaldehyde4-(2,6-dichloro-4-(3,3-dichloro-2-propenyl-oxy)phenoxy)butyloxyacetaldehyde4-(2,6-dichloro-4-(3,3-dichloro-2-propenyloxy)phenoxy)-butyloxyacetaldehyde
REACTIONS
相关反应
Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看uspto-grants-2000_10 · 10.6084/m9.figshare.5104873.v1 · US06140274
查看uspto-grants-2000_10 · 10.6084/m9.figshare.5104873.v1 · US06140274
查看uspto-grants-2000_10 · 10.6084/m9.figshare.5104873.v1 · US06140274
查看uspto-grants-2000_10 · 10.6084/m9.figshare.5104873.v1 · US06140274
查看uspto-grants-2000_10 · 10.6084/m9.figshare.5104873.v1 · US06140274
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