| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID60355386 |
| InChI Key | MLLIIHAKTPXMFF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C15H13Cl1O3 |
| Molecular Weight | 276.06 |
| AlogP | 3.59 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 35.53 |
| Heavy Atoms | 19.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 116412-83-0 |
| NORMAN SUSDAT | |
| PubChem | 798751 |
| ChemSpider | 698628.0 |