| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 4SY9FQ278P |
| EPA CompTox | DTXSID40172058 |
Structure
| InChI Key | GGZQLTVZPOGLCC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H9Br1O2 |
| Molecular Weight | 179.98 |
| AlogP | 1.14 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 18.46 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 18742-02-4 |
| NORMAN SUSDAT | |
| FDA SRS | 4SY9FQ278P |
| PubChem | 87776 |
| ChemSpider | 79190.0 |
CONTENTS
