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
- CC(=O)Nc1cc(C)c(O)cc1C
- InChIKey
- ZZGMQEZPGPGACB-UHFFFAOYSA-N
- 分子式
- C10H13NO2
- 平均分子量
- 179.22 g/mol
- 单同位素质量
- 179.09462866
COMPUTED
结构计算性质
- XLogP
- 0.6
- 极性表面积
- 49.3 Ų
- 氢键供体
- 2
- 氢键受体
- 2
- 可旋转键
- 1
- 重原子
- 13
- 形式电荷
- 0
- 复杂度
- 193
ALIASES
名称与别名
69477-71-0Acetamide, N-(4-hydroxy-2,5-dimethylphenyl)-DTXSID20219697RefChem:315397DTXCID70142188N-(4-hydroxy-2,5-dimethylphenyl)acetamideSCHEMBL774588SCHEMBL5888424ZZGMQEZPGPGACB-UHFFFAOYSA-NN-acetyl-4-amino-2,5-dimethylphenolDB-188441N-(4-hydroxy-2,5-dimethyl-phenyl)-acetamide
REACTIONS