| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID30159590 |
| InChI Key | FSMPZHMHKJEXDT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C10H9N3O1 |
| Molecular Weight | 187.07 |
| AlogP | 0.81 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 60.91 |
| Heavy Atoms | 14.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 13589-77-0 |
| NORMAN SUSDAT | |
| PubChem | 83596 |
| ChemSpider | 75424.0 |