Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看![2-[4-Amino-3-(2,2,2-trifluoro-ethoxy)-phenyl]-3-cyclobutyl-propionic acid Methyl Ester 分子结构式](/api/mol/57995648/svg/360x280.svg)
IDENTITY
结构与身份
- 标准SMILES
- COC(=O)C(CC1CCC1)c1ccc(N)c(OCC(F)(F)F)c1
- InChIKey
- QAMYGOHXVJVUDR-UHFFFAOYSA-N
- 分子式
- C16H20F3NO3
- 平均分子量
- 331.33 g/mol
- 单同位素质量
- 331.13952799
COMPUTED
结构计算性质
- XLogP
- 4.2
- 极性表面积
- 61.6 Ų
- 氢键供体
- 1
- 氢键受体
- 7
- 可旋转键
- 7
- 重原子
- 23
- 形式电荷
- 0
- 复杂度
- 399
ALIASES
名称与别名
2-[4-Amino-3-(2,2,2-trifluoro-ethoxy)-phenyl]-3-cyclobutyl-propionic acid Methyl EsterSCHEMBL3658606
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
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