| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 15O7FR0RUS |
| EPA CompTox | DTXSID6041428 |
Structure
| InChI Key | FODLZNVVRJLINF-UHFFFAOYNA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H8Br2O3 |
| Molecular Weight | 273.88 |
| AlogP | 0.68 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 46.53 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 68479-77-6 |
| NORMAN SUSDAT | |
| FDA SRS | 15O7FR0RUS |
| ChemSpider | 85394.0 |
CONTENTS
