| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID9067801 |
Structure
| InChI Key | ZAQQXTXRYPDIEV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H26O1 |
| Molecular Weight | 210.2 |
| AlogP | 3.9 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 33925-73-4 |
| NORMAN SUSDAT | |
| PubChem | 118577 |
| ChemSpider | 105978.0 |
CONTENTS
