| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 4U3GMG1OT1 |
| EPA CompTox | DTXSID10196004 |
Structure
| InChI Key | KOGFZZYPPGQZFZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H16O5 |
| Molecular Weight | 192.1 |
| AlogP | -1.76 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 90.15 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 439685-79-7 |
| NORMAN SUSDAT | |
| FDA SRS | 4U3GMG1OT1 |
| ChemSpider | 17599771.0 |
CONTENTS
