| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 629O10UI3L |
| EPA CompTox | DTXSID7024409 |
Structure
| InChI Key | AJKVQEKCUACUMD-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H7N1O1 |
| Molecular Weight | 121.05 |
| AlogP | 1.28 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 29.96 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1122-62-9 |
| NORMAN SUSDAT | |
| FDA SRS | 629O10UI3L |
| PubChem | 14286 |
| ChemSpider | 13648.0 |
CONTENTS
