| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
Structure
| InChI Key | UTHSRMJVXNYLKG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H28O5 |
| Molecular Weight | 264.19 |
| AlogP | 1.23 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 11.0 |
| Polar Surface Area | 57.15 |
| Heavy Atoms | 18.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 20324-34-9 |
| NORMAN SUSDAT |
CONTENTS
