| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 3D5H23A27Q |
| EPA CompTox | DTXSID3060952 |
| InChI Key | LLEVMYXEJUDBTA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H10N2 |
| Molecular Weight | 122.08 |
| AlogP | 1.98 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 47.58 |
| Heavy Atoms | 9.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 646-20-8 |
| NORMAN SUSDAT | |
| FDA SRS | 3D5H23A27Q |
| PubChem | 12590 |
| ChemSpider | 12070.0 |