| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | HUX4EC3EUD |
| EPA CompTox | DTXSID5066746 |
Structure
| InChI Key | DHPUIKWBNXTXOB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H9Br1O1 |
| Molecular Weight | 199.98 |
| AlogP | 2.77 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 9.23 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 22002-45-5 |
| NORMAN SUSDAT | |
| FDA SRS | HUX4EC3EUD |
| PubChem | 89143 |
| ChemSpider | 80439.0 |
CONTENTS
