| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | D2V5M6E7E6 |
| EPA CompTox | DTXSID60235811 |
Structure
| InChI Key | NEMOJKROKMMQBQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H7Br1O4 |
| Molecular Weight | 209.95 |
| AlogP | 0.1 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 52.6 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 868-26-8 |
| NORMAN SUSDAT | |
| FDA SRS | D2V5M6E7E6 |
| PubChem | 70087 |
| ChemSpider | 63276.0 |
CONTENTS
