| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID50201545 |
| InChI Key | MMRCXPIWRDKMHH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C18H16Cl2O6 |
| Molecular Weight | 398.03 |
| AlogP | 4.02 |
| Hydrogen Bond Acceptor | 6.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 71.06 |
| Heavy Atoms | 26.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 53384-42-2 |
| NORMAN SUSDAT | |
| PubChem | 104482 |
| ChemSpider | 94327.0 |