| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
Structure
| InChI Key | PGALUWKYZXVZMU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H12O4 |
| Molecular Weight | 148.07 |
| AlogP | -0.1 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 55.76 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 49653-17-0 |
| NORMAN SUSDAT | |
| PubChem | 95630 |
CONTENTS
