| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID4068589 |
Structure
| InChI Key | GMXIEASXPUEOTG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H17Br1O1 |
| Molecular Weight | 208.05 |
| AlogP | 2.71 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 50816-19-8 |
| NORMAN SUSDAT | |
| PubChem | 162607 |
| ChemSpider | 142764.0 |
CONTENTS
