| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | HK54YDV4QA |
| EPA CompTox | DTXSID80178579 |
Structure
| InChI Key | IGVNJALYNQVQIT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H15Br1O2 |
| Molecular Weight | 222.03 |
| AlogP | 2.5 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 23877-12-5 |
| NORMAN SUSDAT | |
| FDA SRS | HK54YDV4QA |
| PubChem | 90290 |
| ChemSpider | 59427.0 |
CONTENTS
