| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID0060692 |
| InChI Key | MKBIJCPQTPFQKQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H9N1O4 |
| Molecular Weight | 195.05 |
| AlogP | 1.77 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 69.44 |
| Heavy Atoms | 14.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 618-98-4 |
| NORMAN SUSDAT | |
| PubChem | 69261 |
| ChemSpider | 21106111.0 |