| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | B9J09WN7SU |
| EPA CompTox | DTXSID3059422 |
Structure
| InChI Key | LPWCRLGKYWVLHQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H27Cl1O1 |
| Molecular Weight | 246.18 |
| AlogP | 5.45 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 12.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 16.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 112-64-1 |
| NORMAN SUSDAT | |
| FDA SRS | B9J09WN7SU |
| PubChem | 66986 |
| ChemSpider | 60344.0 |
CONTENTS
