| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | S5UOB36OCZ |
| EPA CompTox | DTXSID5040546 |
Structure
| InChI Key | KJTLQQUUPVSXIM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H12O4 |
| Molecular Weight | 148.07 |
| AlogP | -0.41 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 77.76 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 150-97-0 |
| NORMAN SUSDAT | |
| FDA SRS | S5UOB36OCZ |
| PubChem | 449 |
| ChemSpider | 436.0 |
CONTENTS
