| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 498GW89H4Z |
| EPA CompTox | DTXSID60152519 |
Structure
| InChI Key | YPFDNCJJFMAZPJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H2Br2N4 |
| Molecular Weight | 275.86 |
| AlogP | 1.83 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 54.46 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1196-41-4 |
| NORMAN SUSDAT | |
| FDA SRS | 498GW89H4Z |
| PubChem | 5464242 |
| ChemSpider | 365830.0 |
CONTENTS
