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
- O=C(O)Cc1cccc2cnccc12
- InChIKey
- RECVWFAKSIWSKR-UHFFFAOYSA-N
- 分子式
- C11H9NO2
- 平均分子量
- 187.19 g/mol
- 单同位素质量
- 187.06332853
COMPUTED
结构计算性质
- XLogP
- 1.6
- 极性表面积
- 50.2 Ų
- 氢键供体
- 1
- 氢键受体
- 3
- 可旋转键
- 2
- 重原子
- 14
- 形式电荷
- 0
- 复杂度
- 217
ALIASES
名称与别名
2-(ISOQUINOLIN-5-YL)ACETIC ACID395074-85-82-isoquinolin-5-ylacetic acidMFCD099249555-Isoquinolineacetic acid5-isoquinolinylacetic Acidisoquinolin-5-yl-acetic acidSCHEMBL8375782-(5-isoquinolyl)acetic acidSCHEMBL30636331RECVWFAKSIWSKR-UHFFFAOYSA-NAKOS012108110DB-087030CS-0270755EN300-225368F95242F680012
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看