| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 7106R4S2OR |
| EPA CompTox | DTXSID2068002 |
| InChI Key | IBQDPNHVFRFCFK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H15Cl1O2 |
| Molecular Weight | 226.08 |
| AlogP | 3.63 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 15.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 36823-84-4 |
| NORMAN SUSDAT | |
| FDA SRS | 7106R4S2OR |
| PubChem | 94910 |
| ChemSpider | 85634.0 |