| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID80885059 |
Structure
| InChI Key | QMIBIXKZPBEGTE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C15H30O |
| Molecular Weight | 226.23 |
| AlogP | 5.09 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 12.0 |
| Polar Surface Area | 12.53 |
| Heavy Atoms | 16.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 18633-25-5 |
| NORMAN SUSDAT | |
| PubChem | 86768 |
CONTENTS
