uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05733932
查看IDENTITY
结构与身份
- 标准SMILES
- CC(=O)c1cc(N)cc(C(C)=O)c1
- InChIKey
- XUVYQFMQZZYSLO-UHFFFAOYSA-N
- 分子式
- C10H11NO2
- 平均分子量
- 177.2 g/mol
- 单同位素质量
- 177.07897859
COMPUTED
结构计算性质
- XLogP
- 0.6
- 极性表面积
- 60.2 Ų
- 氢键供体
- 1
- 氢键受体
- 3
- 可旋转键
- 2
- 重原子
- 13
- 形式电荷
- 0
- 复杂度
- 203
物化、安全与法规信息正在同步。
ALIASES
名称与别名
Cni H1894CNI-H189487933-49-1RefChem:91884887533-49-11-(3-acetyl-5-aminophenyl)ethan-1-one3,5-DiacetylanilineEthanone, 1,1'-(5-amino-1,3-phenylene)bis-1-(3-acetyl-5-aminophenyl)ethanone1,1'-(5-Amino-1,3-phenylene)diethanone1,1'-(5-Amino-1,3-phenylene)bis(ethan-1-one)CNI-H 1894MFCD034237841-(3-acetyl-5-amino-phenyl)ethanoneSCHEMBL1976289XUVYQFMQZZYSLO-UHFFFAOYSA-NDTXSID001007615AKOS027338462AS-65473SY123596
REACTIONS
参与反应
uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05733932
查看uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05733932
查看uspto-grants-1997_04 · 10.6084/m9.figshare.5104873.v1 · US05620983
查看uspto-grants-1997_04 · 10.6084/m9.figshare.5104873.v1 · US05620983
查看uspto-grants-1997_04 · 10.6084/m9.figshare.5104873.v1 · US05620983
查看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 (8/10) · 10.1039/C8SC04228D
查看