| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | JBH3DWA3KK |
| EPA CompTox | DTXSID10203065 |
Structure
| InChI Key | HJSFZKMTFMWEAQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H22O1 |
| Molecular Weight | 170.17 |
| AlogP | 3.57 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 5463-82-1 |
| NORMAN SUSDAT | |
| FDA SRS | JBH3DWA3KK |
| PubChem | 79588 |
| ChemSpider | 71895.0 |
CONTENTS
