| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | NSR3LP9XWL |
| EPA CompTox | DTXSID10193593 |
| InChI Key | VXWTVROLUSKWJR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H13Cl3O4 |
| Molecular Weight | 325.99 |
| AlogP | 3.34 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 55.76 |
| Heavy Atoms | 19.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 40583-17-3 |
| NORMAN SUSDAT | |
| FDA SRS | NSR3LP9XWL |
| PubChem | 520999 |
| ChemSpider | 454448.0 |