| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID90199058 |
Structure
| InChI Key | MQYIQOANLHJLJN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H12O4 |
| Molecular Weight | 136.07 |
| AlogP | -1.22 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 80.92 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 51052-02-9 |
| NORMAN SUSDAT | |
| PubChem | 208876 |
CONTENTS
