| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID5072434 |
Structure
| InChI Key | SQIPCPAQCPMJFW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H16O2 |
| Molecular Weight | 156.12 |
| AlogP | 2.3 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 71820-56-9 |
| NORMAN SUSDAT | |
| PubChem | 530923 |
| ChemSpider | 221514.0 |
CONTENTS
