| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID60583561 |
Structure
| InChI Key | GVNRIAPLVGNZPL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H3Br7O |
| Molecular Weight | 715.45 |
| AlogP | 8.82 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 9.23 |
| Heavy Atoms | 20.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 189084-67-1 |
| NORMAN SUSDAT |
CONTENTS
