| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID5069257 |
| InChI Key | HWSFYZXHGYNGMS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C21H14N2O4 |
| Molecular Weight | 358.1 |
| AlogP | 3.49 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 109.49 |
| Heavy Atoms | 27.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 58473-42-0 |
| NORMAN SUSDAT | |
| PubChem | 94070 |
| ChemSpider | 84895.0 |