| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | X8J2U5J4U6 |
| EPA CompTox | DTXSID60203676 |
| InChI Key | GDBXXYSGUYHFMZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C27H19N1O7S1 |
| Molecular Weight | 501.09 |
| AlogP | 4.62 |
| Hydrogen Bond Acceptor | 8.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 132.99 |
| Heavy Atoms | 36.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 5517-35-1 |
| NORMAN SUSDAT | |
| FDA SRS | X8J2U5J4U6 |
| PubChem | 6365171 |
| ChemSpider | 4895991.0 |