| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | C0YBW1OA2I |
| EPA CompTox | DTXSID7021817 |
Structure
| InChI Key | QWVCIORZLNBIIC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C3H6Br2O1 |
| Molecular Weight | 215.88 |
| AlogP | 1.14 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 6.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 96-13-9 |
| NORMAN SUSDAT | |
| FDA SRS | C0YBW1OA2I |
| PubChem | 7281 |
| ChemSpider | 7009.0 |
CONTENTS
