| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 7FUW62YY5L |
| EPA CompTox | DTXSID1023815 |
Structure
| InChI Key | SIEILFNCEFEENQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C2H2Br2O2 |
| Molecular Weight | 215.84 |
| AlogP | 1.19 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 37.3 |
| Heavy Atoms | 6.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 631-64-1 |
| NORMAN SUSDAT | |
| FDA SRS | 7FUW62YY5L |
| PubChem | 12433 |
| ChemSpider | 11926.0 |
CONTENTS
