| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | KKE2YC4W5Z |
| EPA CompTox | DTXSID00239111 |
| InChI Key | KOXLMFVJUQQBIY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C15H21Cl1O3 |
| Molecular Weight | 284.12 |
| AlogP | 4.15 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 35.53 |
| Heavy Atoms | 19.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 92699-90-6 |
| NORMAN SUSDAT | |
| FDA SRS | KKE2YC4W5Z |
| PubChem | 3022019 |
| ChemSpider | 2288606.0 |