| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID90166841 |
Structure
| InChI Key | CLLLODNOQBVIMS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H10O4 |
| Molecular Weight | 134.06 |
| AlogP | -0.27 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 55.76 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 16024-56-9 |
| NORMAN SUSDAT | |
| PubChem | 27642 |
| ChemSpider | 25718.0 |
CONTENTS
