| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
Structure
| InChI Key | JPUHXNRAGDKQRD-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H22O2 |
| Molecular Weight | 222.16 |
| AlogP | 4.0 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 40.46 |
| Heavy Atoms | 16.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 6565-70-4 |
| NORMAN SUSDAT |
CONTENTS
