| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID6070483 |
| InChI Key | QKSHXKRSGMVHSN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C23H17N1O6 |
| Molecular Weight | 403.11 |
| AlogP | 3.51 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 115.92 |
| Heavy Atoms | 30.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 67036-85-5 |
| NORMAN SUSDAT | |
| PubChem | 105393 |
| ChemSpider | 93410.0 |