| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | XV2A2D8595 |
| EPA CompTox | DTXSID60223238 |
| InChI Key | UMJSCPRVCHMLSP-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C6H7N1O1 |
| Molecular Weight | 109.05 |
| AlogP | 1.09 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 22.12 |
| Heavy Atoms | 8.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 7295-76-3 |
| NORMAN SUSDAT | |
| FDA SRS | XV2A2D8595 |
| PubChem | 23719 |
| ChemSpider | 22179.0 |