| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID30237963 |
Structure
| InChI Key | UASCOHMZKHIVQW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H8N2O4 |
| Molecular Weight | 196.05 |
| AlogP | -0.1 |
| Hydrogen Bond Acceptor | 6.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 100.18 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 89976-96-5 |
| NORMAN SUSDAT | |
| PubChem | 96363 |
| ChemSpider | 86987.0 |
CONTENTS
