| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | UK8ZP6FC3A |
| EPA CompTox | DTXSID8059346 |
Structure
| InChI Key | IZQAUUVBKYXMET-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C2H6Br1N1 |
| Molecular Weight | 122.97 |
| AlogP | 0.34 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 26.02 |
| Heavy Atoms | 4.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 107-09-5 |
| NORMAN SUSDAT | |
| FDA SRS | UK8ZP6FC3A |
| PubChem | 7851 |
| ChemSpider | 7563.0 |
CONTENTS
