| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | E59L8NAX9O |
| EPA CompTox | DTXSID2041414 |
Structure
| InChI Key | YTWWBKKPWACPPB-UHFFFAOYNA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H22O1 |
| Molecular Weight | 182.17 |
| AlogP | 3.12 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 6531-86-8 |
| NORMAN SUSDAT | |
| FDA SRS | E59L8NAX9O |
| ChemSpider | 85130.0 |
CONTENTS
