| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID1068855 |
Structure
| InChI Key | LGZMUUBPTDRQQM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H21Br1O1 |
| Molecular Weight | 236.08 |
| AlogP | 3.49 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 53463-68-6 |
| NORMAN SUSDAT | |
| PubChem | 104507 |
| ChemSpider | 94350.0 |
CONTENTS
