| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | PCT7FEF7N3 |
| EPA CompTox | DTXSID60172651 |
Structure
| InChI Key | CVFVGPVYIWNTJB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H14O1 |
| Molecular Weight | 138.1 |
| AlogP | 1.7 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 19135-08-1 |
| NORMAN SUSDAT | |
| FDA SRS | PCT7FEF7N3 |
| PubChem | 87938 |
| ChemSpider | 79337.0 |
CONTENTS
