| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID7021526 |
| InChI Key | QEGKXSHUKXMDRW-UHFFFAOYNA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C4H5Cl1O4 |
| Molecular Weight | 151.99 |
| AlogP | 0.15 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 74.6 |
| Heavy Atoms | 9.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 16045-92-4 |
| NORMAN SUSDAT | |
| ChemSpider | 10620798.0 |