| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | K6ISU242LN |
| EPA CompTox | DTXSID30185899 |
| InChI Key | CCMRFUCSFRRPNT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H8N2 |
| Molecular Weight | 180.07 |
| AlogP | 2.62 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 36.68 |
| Heavy Atoms | 14.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 32111-34-5 |
| NORMAN SUSDAT | |
| FDA SRS | K6ISU242LN |
| PubChem | 1515238 |
| ChemSpider | 1246636.0 |