| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 5UP30YED7N |
| EPA CompTox | DTXSID7022918 |
Structure
| InChI Key | VFKZTMPDYBFSTM-KVTDHHQDSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H12Br2O4 |
| Molecular Weight | 305.91 |
| AlogP | -0.78 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 80.92 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 488-41-5 |
| NORMAN SUSDAT | |
| FDA SRS | 5UP30YED7N |
| PubChem | 656655 |
| ChemSpider | 4447456.0 |
CONTENTS
