| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID6065769 |
| InChI Key | WYDBWQFSXBDNFU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C20H12N4O6 |
| Molecular Weight | 404.08 |
| AlogP | 3.6 |
| Hydrogen Bond Acceptor | 8.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 158.47 |
| Heavy Atoms | 30.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 14449-97-9 |
| NORMAN SUSDAT | |
| PubChem | 5483699 |
| ChemSpider | 4588246.0 |