| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 6EP8MS6M7U |
| EPA CompTox | DTXSID0062397 |
Structure
| InChI Key | CQZIEDXCLQOOEH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C3H4Br1N1 |
| Molecular Weight | 132.95 |
| AlogP | 1.29 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 23.79 |
| Heavy Atoms | 5.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 2417-90-5 |
| NORMAN SUSDAT | |
| FDA SRS | 6EP8MS6M7U |
| PubChem | 17020 |
| ChemSpider | 16123.0 |
CONTENTS
