| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | M4HBT852YO |
| EPA CompTox | DTXSID10198184 |
| InChI Key | XIHXRRMCNSMUET-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H12Cl2N4O1 |
| Molecular Weight | 262.04 |
| AlogP | 1.36 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 83.16 |
| Heavy Atoms | 16.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 5001-32-1 |
| NORMAN SUSDAT | |
| FDA SRS | M4HBT852YO |
| PubChem | 71835 |
| ChemSpider | 64857.0 |