| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | CB8ZAL4GU3 |
| EPA CompTox | DTXSID40181089 |
| InChI Key | JKXCPAVECBFBOC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C10H13Cl1O1 |
| Molecular Weight | 184.07 |
| AlogP | 3.08 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 9.23 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 2651-46-9 |
| NORMAN SUSDAT | |
| FDA SRS | CB8ZAL4GU3 |
| PubChem | 75857 |
| ChemSpider | 68365.0 |