| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID30964601 |
Structure
| InChI Key | YZVDZGBALSHCNY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H22O4 |
| Molecular Weight | 218.15 |
| AlogP | 1.09 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 10.0 |
| Polar Surface Area | 40.22 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 50321-23-8 |
| NORMAN SUSDAT | |
| PubChem | 5743487 |
CONTENTS
