| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID60234324 |
Structure
| InChI Key | CNBQYSJVWUILKY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H20O3 |
| Molecular Weight | 188.14 |
| AlogP | 1.95 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 27.69 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 85168-89-4 |
| NORMAN SUSDAT | |
| PubChem | 3020470 |
| ChemSpider | 2287354.0 |
CONTENTS
