| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 0AHR6K1N73 |
| EPA CompTox | DTXSID0044151 |
| InChI Key | MPBZUKLDHPOCLS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C6H5N3O4 |
| Molecular Weight | 183.03 |
| AlogP | 1.09 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 112.3 |
| Heavy Atoms | 13.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 618-87-1 |
| NORMAN SUSDAT | |
| FDA SRS | 0AHR6K1N73 |
| PubChem | 12068 |
| ChemSpider | 11571.0 |