| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | QGR7VYD4JX |
| EPA CompTox | DTXSID90229763 |
Structure
| InChI Key | GALBVKDHQBDIJR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H6N2O5 |
| Molecular Weight | 198.03 |
| AlogP | 1.0 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 106.51 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 79544-31-3 |
| NORMAN SUSDAT | |
| FDA SRS | QGR7VYD4JX |
| PubChem | 157302 |
| ChemSpider | 138440.0 |
CONTENTS
