| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID50224855 |
Structure
| InChI Key | WBEVIQNYYGPESH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H8N2O3 |
| Molecular Weight | 168.05 |
| AlogP | 1.39 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 65.26 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 74037-50-6 |
| NORMAN SUSDAT | |
| PubChem | 52866 |
| ChemSpider | 47763.0 |
CONTENTS
