| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID40240589 |
| InChI Key | JSMDCMPQIMLIOO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C10H11Cl1O4 |
| Molecular Weight | 230.03 |
| AlogP | 2.23 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 55.76 |
| Heavy Atoms | 15.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 94108-77-7 |
| NORMAN SUSDAT | |
| PubChem | 3023579 |
| ChemSpider | 2289734.0 |