| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID60885037 |
Structure
| InChI Key | LMBAOEUOOJDUBP-YTXTXJHMSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H14O |
| Molecular Weight | 126.1 |
| AlogP | 1.89 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 18409-20-6 |
| NORMAN SUSDAT | |
| PubChem | 6436488 |
CONTENTS
