| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 4H3BH6YX9Q |
| EPA CompTox | DTXSID3020756 |
| InChI Key | VFQXVTODMYMSMJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C6H6N2O1 |
| Molecular Weight | 122.05 |
| AlogP | 0.18 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 55.98 |
| Heavy Atoms | 9.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 1453-82-3 |
| NORMAN SUSDAT | |
| FDA SRS | 4H3BH6YX9Q |
| PubChem | 15074 |
| ChemSpider | 14346.0 |