| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID301001628 |
| InChI Key | KXDSHDKQUXYLDB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H17ClO4 |
| Molecular Weight | 272.08 |
| AlogP | 2.91 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 44.76 |
| Heavy Atoms | 18.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 80904-51-4 |
| NORMAN SUSDAT | |
| PubChem | 3018974 |