| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 4UQI40E83Z |
| EPA CompTox | DTXSID3040722 |
Structure
| InChI Key | AFKMHDZOVNDWLO-UHFFFAOYSA-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 | 2433-14-9 |
| NORMAN SUSDAT | |
| FDA SRS | 4UQI40E83Z |
| PubChem | 75518 |
| ChemSpider | 68044.0 |
CONTENTS
