| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | LSK3P8B7YD |
| EPA CompTox | DTXSID50234272 |
Structure
| InChI Key | VHRVDEZBJOARMF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H20O2 |
| Molecular Weight | 184.15 |
| AlogP | 2.72 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 18.46 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 85136-37-4 |
| NORMAN SUSDAT | |
| FDA SRS | LSK3P8B7YD |
| PubChem | 910866 |
| ChemSpider | 213984.0 |
CONTENTS
