| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID30469101 |
| InChI Key | DCTSCCYMGLMYKY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H7N3O2 |
| Molecular Weight | 177.05 |
| AlogP | 0.61 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 84.91 |
| Heavy Atoms | 13.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 864680-71-7 |
| NORMAN SUSDAT | |
| PubChem | 11593525 |
| ChemSpider | 9768285.0 |