| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | T258D82AEJ |
| EPA CompTox | DTXSID80210802 |
| InChI Key | RBQIPEJXQPQFJX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H7N1O4 |
| Molecular Weight | 169.04 |
| AlogP | 0.69 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 5.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 104.77 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 618-73-5 |
| NORMAN SUSDAT | |
| FDA SRS | T258D82AEJ |
| PubChem | 69256 |
| ChemSpider | 62469.0 |