| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID2066517 |
| InChI Key | QHMDKGRWJVOUFU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H7Cl1N2O1 |
| Molecular Weight | 170.02 |
| AlogP | 1.81 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 70.1 |
| Heavy Atoms | 11.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 19694-10-1 |
| NORMAN SUSDAT | |
| PubChem | 88200 |
| ChemSpider | 79569.0 |