| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | E00MDP82S4 |
| EPA CompTox | DTXSID90950449 |
Structure
| InChI Key | DJQOLVAOGRCCJT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H12O4 |
| Molecular Weight | 148.07 |
| AlogP | -0.14 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 66.76 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 27762-78-3 |
| NORMAN SUSDAT | |
| FDA SRS | E00MDP82S4 |
CONTENTS
