| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID10190365 |
Structure
| InChI Key | CPIGBCFBFZSCQI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H11Br1O1 |
| Molecular Weight | 262.0 |
| AlogP | 4.37 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 9.23 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 36881-42-2 |
| NORMAN SUSDAT | |
| PubChem | 1514251 |
| ChemSpider | 1246049.0 |
CONTENTS
