| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 95WL9E8A77 |
| EPA CompTox | DTXSID7064998 |
Structure
| InChI Key | OFRFGNSZCYDFOH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H20O4 |
| Molecular Weight | 216.14 |
| AlogP | 1.77 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 52.6 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 10203-58-4 |
| NORMAN SUSDAT | |
| FDA SRS | 95WL9E8A77 |
| PubChem | 25047 |
| ChemSpider | 23410.0 |
CONTENTS
