| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | NS6YPK3N9R |
| EPA CompTox | DTXSID9071557 |
| InChI Key | QPGYGIVRJIICGZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7Br4O4S1 |
| Molecular Weight | 495.63 |
| AlogP | 3.6 |
| Hydrogen Bond Acceptor | 4.0 |
| Polar Surface Area | 60.44 |
| Heavy Atoms | 16.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 68460-01-5 |
| NORMAN SUSDAT | |
| FDA SRS | NS6YPK3N9R |
| PubChem | 110335 |
| ChemSpider | 96581.0 |