| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID50192767 |
| InChI Key | GUYBWIMXUDUWPX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C11H11Cl1O5 |
| Molecular Weight | 258.03 |
| AlogP | 2.01 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 61.83 |
| Heavy Atoms | 17.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 39657-47-1 |
| NORMAN SUSDAT | |
| PubChem | 97307 |
| ChemSpider | 87831.0 |