| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID7069493 |
Structure
| InChI Key | BKMHRWAUFCKQFT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H20O2 |
| Molecular Weight | 184.15 |
| AlogP | 2.89 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 18.46 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 61732-96-5 |
| NORMAN SUSDAT | |
| PubChem | 109131 |
| ChemSpider | 98133.0 |
CONTENTS
