| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 7G9BE79A9K |
| EPA CompTox | DTXSID60199646 |
Structure
| InChI Key | IHOLQYYMMKYVLH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H8Br2O1 |
| Molecular Weight | 277.89 |
| AlogP | 3.53 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 9.23 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 51699-89-9 |
| NORMAN SUSDAT | |
| FDA SRS | 7G9BE79A9K |
| PubChem | 103932 |
| ChemSpider | 93833.0 |
CONTENTS
