| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID2069521 |
| InChI Key | SHONRZHXNYRHLZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C21H15Br1N2O5S1 |
| Molecular Weight | 485.99 |
| AlogP | 4.11 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 126.56 |
| Heavy Atoms | 30.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 61886-54-2 |
| NORMAN SUSDAT | |
| PubChem | 112769 |
| ChemSpider | 97932.0 |