| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | SYH7LC5UGQ |
| EPA CompTox | DTXSID8069517 |
| InChI Key | KHJPWDHXQSXQRM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H17Cl1O2 |
| Molecular Weight | 228.09 |
| AlogP | 3.91 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 18.46 |
| Heavy Atoms | 15.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 61886-39-3 |
| NORMAN SUSDAT | |
| FDA SRS | SYH7LC5UGQ |
| PubChem | 112764 |
| ChemSpider | 101069.0 |