| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 42L29D4UCP |
| EPA CompTox | DTXSID10145971 |
Structure
| InChI Key | JEGIFBGJZPYMJS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H8N2O1 |
| Molecular Weight | 172.06 |
| AlogP | 1.57 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 34.89 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 10364-94-0 |
| NORMAN SUSDAT | |
| FDA SRS | 42L29D4UCP |
| PubChem | 66319 |
| ChemSpider | 59697.0 |
CONTENTS
