| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 754Y0U325I |
| EPA CompTox | DTXSID2049426 |
Structure
| InChI Key | LIGACIXOYTUXAW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H7Br1O1 |
| Molecular Weight | 197.97 |
| AlogP | 2.26 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 70-11-1 |
| NORMAN SUSDAT | |
| FDA SRS | 754Y0U325I |
| PubChem | 6259 |
| ChemSpider | 6023.0 |
CONTENTS
