| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID40173429 |
| InChI Key | WOXTWTXRXKAZPT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H9N1O2 |
| Molecular Weight | 151.06 |
| AlogP | 0.53 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 63.32 |
| Heavy Atoms | 11.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 19745-72-3 |
| NORMAN SUSDAT | |
| PubChem | 91996582 |
| ChemSpider | 167960.0 |