| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 7VB4DQ3N3D |
| EPA CompTox | DTXSID00955581 |
Structure
| InChI Key | AHIUAFXWZKCJLR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H15BrO2 |
| Molecular Weight | 210.03 |
| AlogP | 2.17 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 18.46 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 3400-55-3 |
| NORMAN SUSDAT | |
| FDA SRS | 7VB4DQ3N3D |
| PubChem | 103001 |
CONTENTS
