| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID20193180 |
| InChI Key | GWHQKTAGVTYTJX-UHFFFAOYSA-N | |
|---|---|---|
| Smiles | ||
| InChI |
|
| Property Name | Value | |
|---|---|---|
| Molecular Formula | C9H12Cl2N2O1 | |
| Molecular Weight | 234.03 | |
| AlogP | 3.07 | |
| Hydrogen Bond Acceptor | 3.0 | |
| Hydrogen Bond Donor | 2.0 | |
| Number of Rotational Bond | 3.0 | |
| Polar Surface Area | 47.28 | |
| Heavy Atoms | 14.0 |
| Resources | Reference | |
|---|---|---|
| CAS NUMBER | 40178-22-1 | |
| NORMAN SUSDAT | ||
| PubChem | 170281 | |
| ChemSpider | 148888.0 |