| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID10240672 |
| InChI Key | WDFFBKCRZJATND-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H13Br1O4 |
| Molecular Weight | 252.0 |
| AlogP | 1.08 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 44.76 |
| Heavy Atoms | 13.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 94133-61-6 |
| NORMAN SUSDAT | |
| PubChem | 594521 |
| ChemSpider | 516827.0 |