| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | G47437IOW7 |
| EPA CompTox | DTXSID0022147 |
| InChI Key | WMQUKDQWMMOHSA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H7N1O1 |
| Molecular Weight | 121.05 |
| AlogP | 1.28 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 29.96 |
| Heavy Atoms | 9.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 1122-54-9 |
| NORMAN SUSDAT | |
| FDA SRS | G47437IOW7 |
| PubChem | 14282 |
| ChemSpider | 13644.0 |