| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | R7KU3U5TSZ |
| EPA CompTox | DTXSID30161178 |
Structure
| InChI Key | SWASTJCUMFALOW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H8N2O4 |
| Molecular Weight | 196.05 |
| AlogP | 2.07 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 86.28 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 13985-56-3 |
| NORMAN SUSDAT | |
| FDA SRS | R7KU3U5TSZ |
| PubChem | 84131 |
| ChemSpider | 75901.0 |
CONTENTS
