| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID40175923 |
Structure
| InChI Key | LIINGNMKNRSOGW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H14O1 |
| Molecular Weight | 126.1 |
| AlogP | 2.32 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 21573-31-9 |
| NORMAN SUSDAT | |
| PubChem | 88947 |
| ChemSpider | 80259.0 |
CONTENTS
