| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | ZR2KSF236U |
| EPA CompTox | DTXSID60200281 |
| InChI Key | ZESKQYXABHALKR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C23H17N1O7 |
| Molecular Weight | 419.1 |
| AlogP | 3.09 |
| Hydrogen Bond Acceptor | 8.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 125.15 |
| Heavy Atoms | 31.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 52236-82-5 |
| NORMAN SUSDAT | |
| FDA SRS | ZR2KSF236U |
| PubChem | 104132 |
| ChemSpider | 94011.0 |