| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID10239829 |
Structure
| InChI Key | XXIXJIRNHGJXBS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H30O2 |
| Molecular Weight | 230.22 |
| AlogP | 4.53 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 12.0 |
| Polar Surface Area | 18.46 |
| Heavy Atoms | 16.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 93892-07-0 |
| NORMAN SUSDAT | |
| PubChem | 208863 |
| ChemSpider | 180968.0 |
CONTENTS
