| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | EXS3LF9T6E |
| EPA CompTox | DTXSID70173275 |
Structure
| InChI Key | ALAQDUSTXPEHMH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H7Br1S1 |
| Molecular Weight | 201.95 |
| AlogP | 3.17 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 19614-16-5 |
| NORMAN SUSDAT | |
| FDA SRS | EXS3LF9T6E |
| PubChem | 88166 |
| ChemSpider | 79539.0 |
CONTENTS
