| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID90183891 |
Structure
| InChI Key | PVLRGQZYXRZWFY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H26O5 |
| Molecular Weight | 274.18 |
| AlogP | 2.82 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 68.15 |
| Heavy Atoms | 19.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 29730-06-1 |
| NORMAN SUSDAT | |
| PubChem | 122524 |
| ChemSpider | 109242.0 |
CONTENTS
