| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID801006116 |
Structure
| InChI Key | SBFUFGSTQOIQIN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H7Br2N |
| Molecular Weight | 238.89 |
| AlogP | 2.45 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 23.79 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 85554-83-2 |
| NORMAN SUSDAT | |
| PubChem | 3020796 |
CONTENTS
