| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | KX7ZKC555Y |
| EPA CompTox | DTXSID5067558 |
| InChI Key | LSJXFRHMMURWFI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H13Cl3O3 |
| Molecular Weight | 309.99 |
| AlogP | 4.7 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 46.53 |
| Heavy Atoms | 18.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 30431-53-9 |
| NORMAN SUSDAT | |
| FDA SRS | KX7ZKC555Y |
| PubChem | 94412 |
| ChemSpider | 85203.0 |