HRID112702
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
- Nc1cc2c(cc1F)CC(=O)N2
- InChIKey
- ARQRWWOHJBWWKT-UHFFFAOYSA-N
- 分子式
- C8H7FN2O
- 平均分子量
- 166.15 g/mol
- 单同位素质量
- 166.05424101
COMPUTED
结构计算性质
- XLogP
- 0.2
- 极性表面积
- 55.1 Ų
- 氢键供体
- 2
- 氢键受体
- 3
- 可旋转键
- 0
- 重原子
- 12
- 形式电荷
- 0
- 复杂度
- 209
ALIASES
名称与别名
6-amino-5-fluoroindolin-2-one150544-01-76-amino-5-fluoro-1,3-dihydro-2H-Indol-2-one6-Amino-5-fluoro-2-indolinone6-amino-5-fluoro-indolin-2-oneMFCD129246956-amino-5-fluoro-1,3-dihydroindol-2-one6-Amino-5-fluoro-1,3-dihydro-indol-2-oneSCHEMBL153758SCHEMBL31727396ARQRWWOHJBWWKT-UHFFFAOYSA-NAKOS022713341AS-47583SY244261DB-2197205-fluoro-6-amino-1,3-dihydro-indol-2-oneCS-0044234F144406-Amino-5-fluoro-2,3-dihydro-1H-indol-2-oneF527359
REACTIONS
参与反应
HRID114194
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HRID114460
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HRID122691
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HRID816300
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HRID832744
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HRID905720
uspto-grants-2011_09
作为反应物
uspto-grants-2011_09 · 10.6084/m9.figshare.5104873.v1 · US08012966B2
查看条件与参与物HRID905734
uspto-grants-2011_09
作为反应物
uspto-grants-2011_09 · 10.6084/m9.figshare.5104873.v1 · US08012966B2
查看条件与参与物