| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | GDQ2ZS4CG8 |
| EPA CompTox | DTXSID60214762 |
Structure
| InChI Key | CJUOWAWICLNGCQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H11Br3O6 |
| Molecular Weight | 451.81 |
| AlogP | 1.17 |
| Hydrogen Bond Acceptor | 6.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 78.9 |
| Heavy Atoms | 18.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 64503-08-8 |
| NORMAN SUSDAT | |
| FDA SRS | GDQ2ZS4CG8 |
| PubChem | 95135 |
| ChemSpider | 85844.0 |
CONTENTS
