| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 5AK3IYE5IJ |
| EPA CompTox | DTXSID30195054 |
Structure
| InChI Key | UNMYKPSSIFZORM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H16O2 |
| Molecular Weight | 144.12 |
| AlogP | 1.96 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 18.46 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 4223-11-4 |
| NORMAN SUSDAT | |
| FDA SRS | 5AK3IYE5IJ |
| PubChem | 20207 |
| ChemSpider | 19034.0 |
CONTENTS
