| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | JT8TR8DQP4 |
| EPA CompTox | DTXSID60168554 |
Structure
| InChI Key | VPODXHOUBDCEHN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H8N2O3 |
| Molecular Weight | 228.05 |
| AlogP | 1.47 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 69.15 |
| Heavy Atoms | 17.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 16837-38-0 |
| NORMAN SUSDAT | |
| FDA SRS | JT8TR8DQP4 |
| PubChem | 85607 |
| ChemSpider | 77207.0 |
CONTENTS
