| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | W4GQ4U7DMA |
| EPA CompTox | DTXSID80200687 |
| InChI Key | GZKDUBJVOZXJOU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H15Cl1O3 |
| Molecular Weight | 242.07 |
| AlogP | 3.06 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 35.53 |
| Heavy Atoms | 16.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 52716-17-3 |
| NORMAN SUSDAT | |
| FDA SRS | W4GQ4U7DMA |
| PubChem | 104295 |
| ChemSpider | 94155.0 |