| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | S18C168OWC |
| EPA CompTox | DTXSID7041916 |
| InChI Key | JKRZOJADNVOXPM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C10H18O4 |
| Molecular Weight | 202.12 |
| AlogP | 1.67 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 52.6 |
| Heavy Atoms | 14.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 2050-60-4 |
| NORMAN SUSDAT | |
| FDA SRS | S18C168OWC |
| PubChem | 16306 |
| ChemSpider | 15472.0 |