| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 7GWB0779K1 |
| EPA CompTox | DTXSID7063681 |
Structure
| InChI Key | ZDJFDFNNEAPGOP-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C16H30O4 |
| Molecular Weight | 286.21 |
| AlogP | 4.01 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 13.0 |
| Polar Surface Area | 52.6 |
| Heavy Atoms | 20.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 5024-21-5 |
| NORMAN SUSDAT | |
| FDA SRS | 7GWB0779K1 |
| PubChem | 78727 |
| ChemSpider | 71071.0 |
CONTENTS
