| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID40202329 |
| InChI Key | KKTZHFZXGZLTLZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H6Cl1N5 |
| Molecular Weight | 195.03 |
| AlogP | 1.1 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 80.48 |
| Heavy Atoms | 13.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 54013-18-2 |
| NORMAN SUSDAT | |
| PubChem | 104673 |
| ChemSpider | 94495.0 |