| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID6068721 |
| InChI Key | HYKFCGUBCWWEBA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H12N2O2 |
| Molecular Weight | 180.09 |
| AlogP | 0.91 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 75.35 |
| Heavy Atoms | 13.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 52235-55-9 |
| NORMAN SUSDAT | |
| PubChem | 104129 |
| ChemSpider | 85309.0 |