| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 5UR6FO365D |
| EPA CompTox | DTXSID80151988 |
Structure
| InChI Key | IBZJGOGLCABLDJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H4N2O4 |
| Molecular Weight | 168.02 |
| AlogP | 1.89 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 99.32 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 118-02-5 |
| NORMAN SUSDAT | |
| FDA SRS | 5UR6FO365D |
| PubChem | 67036 |
| ChemSpider | 60387.0 |
CONTENTS
