| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | SE76HL6VQC |
| EPA CompTox | DTXSID60869175 |
Structure
| InChI Key | HPIYZRUOQOGMEY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H18O4 |
| Molecular Weight | 202.12 |
| AlogP | 1.67 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 52.6 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 94022-04-5 |
| NORMAN SUSDAT | |
| FDA SRS | SE76HL6VQC |
| PubChem | 95007 |
CONTENTS
