| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID80918139 |
Structure
| InChI Key | QJCYYVDJEYLVQG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H27ClO3 |
| Molecular Weight | 278.16 |
| AlogP | 3.39 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 13.0 |
| Polar Surface Area | 30.99 |
| Heavy Atoms | 18.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 93762-38-0 |
| NORMAN SUSDAT | |
| PubChem | 5744117 |
CONTENTS
