| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | EG4HK2H9C3 |
| EPA CompTox | DTXSID7060548 |
| InChI Key | AOXPHVNMBPFOFS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H7N1O4 |
| Molecular Weight | 181.04 |
| AlogP | 1.38 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 69.44 |
| Heavy Atoms | 13.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 606-27-9 |
| NORMAN SUSDAT | |
| FDA SRS | EG4HK2H9C3 |
| PubChem | 69072 |
| ChemSpider | 62292.0 |