| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID3066760 |
Structure
| InChI Key | MLRYPOCSLBIUHY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H24O |
| Molecular Weight | 184.18 |
| AlogP | 3.68 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 22104-81-0 |
| NORMAN SUSDAT |
CONTENTS
