| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 4KAT2Q9CHL |
| EPA CompTox | DTXSID20163161 |
| InChI Key | KOOBYHRLTYIPTH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C6H7Cl1N4O2 |
| Molecular Weight | 202.03 |
| AlogP | 0.08 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 104.12 |
| Heavy Atoms | 13.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 1458-01-1 |
| NORMAN SUSDAT | |
| FDA SRS | 4KAT2Q9CHL |
| PubChem | 73827 |
| ChemSpider | 66461.0 |