| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | D4SQ3W3AR2 |
| EPA CompTox | DTXSID5063996 |
Structure
| InChI Key | NEZHCMOOOIHCJA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H18O1 |
| Molecular Weight | 166.14 |
| AlogP | 3.25 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 5739-17-3 |
| NORMAN SUSDAT | |
| FDA SRS | D4SQ3W3AR2 |
| PubChem | 79817 |
| ChemSpider | 72110.0 |
CONTENTS
