| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 6WE2J94X4F |
| EPA CompTox | DTXSID90232999 |
| InChI Key | XHXIXAJCGSMLIZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C26H18N2O7S1 |
| Molecular Weight | 502.08 |
| AlogP | 4.05 |
| Hydrogen Bond Acceptor | 8.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 156.02 |
| Heavy Atoms | 36.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 84100-92-5 |
| NORMAN SUSDAT | |
| FDA SRS | 6WE2J94X4F |
| PubChem | 3019703 |
| ChemSpider | 2286804.0 |