| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID10166661 |
| InChI Key | HRXBYPUUCBEZAS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H6Cl1N3 |
| Molecular Weight | 179.03 |
| AlogP | 1.7 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Polar Surface Area | 52.53 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 15944-33-9 |
| NORMAN SUSDAT | |
| PubChem | 85199 |
| ChemSpider | 76834.0 |