| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
Structure
| InChI Key | JZJHVHUFPUYAJF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H16O4 |
| Molecular Weight | 224.1 |
| AlogP | 2.22 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 47.92 |
| Heavy Atoms | 16.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 63253-24-7 |
| NORMAN SUSDAT |
CONTENTS
