| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 4IJ1M5W7LL |
| EPA CompTox | DTXSID00862928 |
Structure
| InChI Key | LFKLPJRVSHJZPL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H14O2 |
| Molecular Weight | 142.1 |
| AlogP | 1.34 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 25.06 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 2426-07-5 |
| NORMAN SUSDAT | |
| FDA SRS | 4IJ1M5W7LL |
| PubChem | 17048 |
CONTENTS
