| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 5S3GU3B2UK |
| EPA CompTox | DTXSID7066273 |
Structure
| InChI Key | RQEPEDPOJQCJJT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H12O4 |
| Molecular Weight | 148.07 |
| AlogP | -0.85 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 66.76 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 17872-55-8 |
| NORMAN SUSDAT | |
| FDA SRS | 5S3GU3B2UK |
| PubChem | 87346 |
| ChemSpider | 78790.0 |
CONTENTS
