| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID5068732 |
| InChI Key | RASPFILDTJZROS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C16H8N2O6 |
| Molecular Weight | 324.04 |
| AlogP | 1.91 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 115.61 |
| Heavy Atoms | 24.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 52298-01-8 |
| NORMAN SUSDAT | |
| PubChem | 104142 |
| ChemSpider | 84191.0 |