| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | P686BA4MWG |
| EPA CompTox | DTXSID00167061 |
Structure
| InChI Key | XFGANBYCJWQYBI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H23Br1O1 |
| Molecular Weight | 250.09 |
| AlogP | 3.88 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 10.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1611-56-9 |
| NORMAN SUSDAT | |
| FDA SRS | P686BA4MWG |
| PubChem | 74163 |
| ChemSpider | 66773.0 |
CONTENTS
