| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | SQ2UM95XLW |
| EPA CompTox | DTXSID20179525 |
Structure
| InChI Key | AFDWAIQLYHEUIW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H6N2O4 |
| Molecular Weight | 218.03 |
| AlogP | 2.66 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 86.28 |
| Heavy Atoms | 16.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 24824-27-9 |
| NORMAN SUSDAT | |
| FDA SRS | SQ2UM95XLW |
| PubChem | 90620 |
| ChemSpider | 81820.0 |
CONTENTS
