| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID00885556 |
Structure
| InChI Key | MDRZSADXFOPYOC-VNKDHWASSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H12O |
| Molecular Weight | 112.09 |
| AlogP | 1.5 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 33467-79-7 |
| NORMAN SUSDAT | |
| PubChem | 5367391 |
CONTENTS
