| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID20193382 |
| InChI Key | QOOFWHJIVSELIO-VIFPVBQESA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H15Cl1O3 |
| Molecular Weight | 242.07 |
| AlogP | 2.98 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 35.53 |
| Heavy Atoms | 16.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 40390-11-2 |
| NORMAN SUSDAT | |
| PubChem | 3084780 |
| ChemSpider | 21230235.0 |