| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID20202160 |
| InChI Key | ZJSCDDIGFJQVAC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H14N2O1 |
| Molecular Weight | 166.11 |
| AlogP | 0.44 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 58.28 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 53894-28-3 |
| NORMAN SUSDAT | |
| PubChem | 3033857 |
| ChemSpider | 2298437.0 |