| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | A9MTA572M8 |
| EPA CompTox | DTXSID50187411 |
Structure
| InChI Key | HBVWZQCLPFPSCF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H10O4 |
| Molecular Weight | 146.06 |
| AlogP | -0.5 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 63.6 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 33736-01-5 |
| NORMAN SUSDAT | |
| FDA SRS | A9MTA572M8 |
| PubChem | 118544 |
| ChemSpider | 105948.0 |
CONTENTS
