| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | NNG5CDX49U |
| EPA CompTox | DTXSID50219746 |
| InChI Key | DKSQDSSMOUQQRK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H14N2O1 |
| Molecular Weight | 166.11 |
| AlogP | 0.55 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 45.15 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 6951-00-4 |
| NORMAN SUSDAT | |
| FDA SRS | NNG5CDX49U |
| PubChem | 81390 |
| ChemSpider | 73438.0 |