| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | VS8NFO6O1G |
| EPA CompTox | DTXSID30192129 |
| InChI Key | YRGMYJUKFJPNPD-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C5H6Br1N3 |
| Molecular Weight | 186.97 |
| AlogP | 1.01 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Polar Surface Area | 64.93 |
| Heavy Atoms | 9.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 38875-53-5 |
| NORMAN SUSDAT | |
| FDA SRS | VS8NFO6O1G |
| PubChem | 691156 |
| ChemSpider | 96430.0 |