| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID6069323 |
| InChI Key | XFHAYQGHHKCVBA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C6H8Br1N3 |
| Molecular Weight | 200.99 |
| AlogP | 1.32 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Polar Surface Area | 64.93 |
| Heavy Atoms | 10.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 59352-90-8 |
| NORMAN SUSDAT | |
| PubChem | 101022 |
| ChemSpider | 91270.0 |