HRID111717
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看条件与参与物IDENTITY
结构与身份
- 标准 SMILES
- O=c1[nH]c2ccc(Cl)cc2n1-c1ccccc1
- InChIKey
- UCBSMOSFCAQPAI-UHFFFAOYSA-N
- 分子式
- C13H9ClN2O
- 平均分子量
- 244.67 g/mol
- 单同位素质量
- 244.0403406
COMPUTED
结构计算性质
- XLogP
- 2.9
- 极性表面积
- 32.3 Ų
- 氢键供体
- 1
- 氢键受体
- 1
- 可旋转键
- 1
- 重原子
- 17
- 形式电荷
- 0
- 复杂度
- 304
ALIASES
名称与别名
54986-47-92H-Benzimidazol-2-one, 1,3-dihydro-6-chloro-1-phenyl-6-chloro-1,3-dihydro-1-phenyl-2H-benzimidazol-2-one2H-Benzimidazol-2-one, 6-chloro-1,3-dihydro-1-phenyl-BRN 06147763-Phenyl-5-chloro-benzimidazolin-2-one1,3-Dihydro-6-chloro-1-phenyl-2H-benzimidazol-2-oneSCHEMBL8886284SCHEMBL10999775SCHEMBL31743953DTXSID802035175-Chloro-2-phenylindazolin-3-oneDB-3069631-phenyl-6-chloro-2,3-dihydro-benzimidazol-2-one5-chloro-1,3-dihydro-3-phenyl-2H-benzimidazol-2-one6-Chloro-1-phenyl-1,3-dihydro-2H-benzimidazol-2-one #6-Chloro-1-phenyl-1,3-dihydro-2H-1,3-benzimidazol-2-one
REACTIONS
参与反应
HRID261783
uspto-grants-1979_05
作为反应物
uspto-grants-1979_05 · 10.6084/m9.figshare.5104873.v1 · US04152434
查看条件与参与物HRID354919
uspto-grants-1983_03
作为反应物
uspto-grants-1983_03 · 10.6084/m9.figshare.5104873.v1 · US04377578
查看条件与参与物HRID698649
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
查看条件与参与物HRID831799
Test data from https://doi.org/10.1039/C8SC04228D
作为反应物
Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
查看条件与参与物HRID1081478
uspto-grants-1996_12
作为反应物
uspto-grants-1996_12 · 10.6084/m9.figshare.5104873.v1 · US05585394
查看条件与参与物HRID1081492
uspto-grants-1996_12
作为反应物
uspto-grants-1996_12 · 10.6084/m9.figshare.5104873.v1 · US05585394
查看条件与参与物HRID1112353
uspto-grants-1978_10
作为反应物
uspto-grants-1978_10 · 10.6084/m9.figshare.5104873.v1 · US04122175
查看条件与参与物