| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 8C7O46G78K |
| EPA CompTox | DTXSID0047450 |
| InChI Key | PZBQVZFITSVHAW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C6H4Cl1N3 |
| Molecular Weight | 153.01 |
| AlogP | 1.61 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 41.57 |
| Heavy Atoms | 10.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 94-97-3 |
| NORMAN SUSDAT | |
| FDA SRS | 8C7O46G78K |
| PubChem | 66760 |
| ChemSpider | 60126.0 |