| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID50885743 |
Structure
| InChI Key | JCRBYQZIJFWGOO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H25BrO2 |
| Molecular Weight | 292.1 |
| AlogP | 4.27 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 18.46 |
| Heavy Atoms | 16.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 50816-20-1 |
| NORMAN SUSDAT | |
| PubChem | 170916 |
CONTENTS
