| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | UX52Q2TV2G |
| EPA CompTox | DTXSID80208668 |
Structure
| InChI Key | NZZXSGDOZVVHAM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H9Br3O2 |
| Molecular Weight | 349.82 |
| AlogP | 3.17 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 59956-61-5 |
| NORMAN SUSDAT | |
| FDA SRS | UX52Q2TV2G |
| PubChem | 108860 |
| ChemSpider | 97895.0 |
CONTENTS
