| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID0067264 |
| InChI Key | BDJMCMGZOMQUMJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C21H15Br1N2O4S1 |
| Molecular Weight | 469.99 |
| AlogP | 3.92 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 106.33 |
| Heavy Atoms | 29.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 26868-32-6 |
| NORMAN SUSDAT | |
| PubChem | 117886 |
| ChemSpider | 105340.0 |