| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID4064395 |
| InChI Key | RSAUOQFEFINEDM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C14H8N2O1 |
| Molecular Weight | 220.06 |
| AlogP | 3.22 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 56.81 |
| Heavy Atoms | 17.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 6508-04-9 |
| NORMAN SUSDAT | |
| PubChem | 81004 |
| ChemSpider | 16788386.0 |