| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | E98XHS3JRE |
| EPA CompTox | DTXSID20233555 |
| InChI Key | NLMCPTOHHZNHMB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C18H16N2O4 |
| Molecular Weight | 324.11 |
| AlogP | 3.05 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 101.98 |
| Heavy Atoms | 24.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 84560-13-4 |
| NORMAN SUSDAT | |
| FDA SRS | E98XHS3JRE |
| PubChem | 5743850 |
| ChemSpider | 4675537.0 |