| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | NIJ3H353YH |
| EPA CompTox | DTXSID9046526 |
| InChI Key | XBLVHTDFJBKJLG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H9N1O2 |
| Molecular Weight | 151.06 |
| AlogP | 1.26 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 39.19 |
| Heavy Atoms | 11.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 614-18-6 |
| NORMAN SUSDAT | |
| FDA SRS | NIJ3H353YH |
| PubChem | 69188 |
| ChemSpider | 62402.0 |