| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
Structure
| InChI Key | AGHCATLQZLZHHD-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H16O5 |
| Molecular Weight | 204.1 |
| AlogP | -0.36 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 83.83 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 91052-72-1 |
| NORMAN SUSDAT |
CONTENTS
