| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | SLW94EVQ4P |
| EPA CompTox | DTXSID40179103 |
Structure
| InChI Key | QAFJHDNFUMKVIE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H8N2O4 |
| Molecular Weight | 244.05 |
| AlogP | 3.17 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 86.28 |
| Heavy Atoms | 18.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 2436-96-6 |
| NORMAN SUSDAT | |
| FDA SRS | SLW94EVQ4P |
| PubChem | 75529 |
| ChemSpider | 68055.0 |
CONTENTS
