| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID60222120 |
| InChI Key | JGDURTCBAJOZDJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C16H30O6 |
| Molecular Weight | 318.2 |
| AlogP | 2.49 |
| Hydrogen Bond Acceptor | 6.0 |
| Number of Rotational Bond | 15.0 |
| Polar Surface Area | 71.06 |
| Heavy Atoms | 22.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 71850-03-8 |
| NORMAN SUSDAT | |
| PubChem | 172921 |
| ChemSpider | 151012.0 |