| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 7EXD3TBU3Z |
| EPA CompTox | DTXSID0060727 |
| InChI Key | XCTQPMCULSZKLT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H8N2O1 |
| Molecular Weight | 160.06 |
| AlogP | 2.19 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 56.38 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 621-03-4 |
| NORMAN SUSDAT | |
| FDA SRS | 7EXD3TBU3Z |
| PubChem | 69296 |
| ChemSpider | 62507.0 |