| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID2073067 |
| InChI Key | CFPXMCKUVHXIKD-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C22H16N2O7 |
| Molecular Weight | 420.1 |
| AlogP | 3.06 |
| Hydrogen Bond Acceptor | 8.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 150.0 |
| Heavy Atoms | 31.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 115341-07-6 |
| NORMAN SUSDAT | |
| PubChem | 102055969 |
| ChemSpider | 4588302.0 |