| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | H4RQ9A7855 |
| EPA CompTox | DTXSID0041430 |
Structure
| InChI Key | YLKMTQHJTPXQOL-UHFFFAOYNA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H9Br1O3 |
| Molecular Weight | 195.97 |
| AlogP | 0.31 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 46.53 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 4189-47-3 |
| NORMAN SUSDAT | |
| FDA SRS | H4RQ9A7855 |
| ChemSpider | 96508.0 |
CONTENTS
