| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID8069016 |
Structure
| InChI Key | USJDOLXCPFASNV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H19Br1O1 |
| Molecular Weight | 222.06 |
| AlogP | 3.1 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 55362-80-6 |
| NORMAN SUSDAT | |
| PubChem | 108700 |
| ChemSpider | 6575.0 |
CONTENTS
