| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | S19T080MRG |
| EPA CompTox | DTXSID10199116 |
Structure
| InChI Key | AYFJBMBVXWNYLT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H9Br1O1 |
| Molecular Weight | 235.98 |
| AlogP | 3.61 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 9.23 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 5111-65-9 |
| NORMAN SUSDAT | |
| FDA SRS | S19T080MRG |
| PubChem | 78786 |
| ChemSpider | 71123.0 |
CONTENTS
