| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 6SMK7L852B |
| EPA CompTox | DTXSID8071518 |
Structure
| InChI Key | SSZHXDAHYXHGQY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H6Br4O1 |
| Molecular Weight | 433.72 |
| AlogP | 4.75 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 9.23 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 68413-71-8 |
| NORMAN SUSDAT | |
| FDA SRS | 6SMK7L852B |
| PubChem | 94633 |
| ChemSpider | 85392.0 |
CONTENTS
