| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID1072632 |
Structure
| InChI Key | QIKYGYCMRRQODW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H22O1 |
| Molecular Weight | 194.17 |
| AlogP | 4.05 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 10.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 72894-15-6 |
| NORMAN SUSDAT | |
| PubChem | 166346 |
| ChemSpider | 4945537.0 |
CONTENTS
