| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | YZV641464H |
| EPA CompTox | DTXSID70212577 |
Structure
| InChI Key | PWYXVVREDGESBB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H14O2 |
| Molecular Weight | 142.1 |
| AlogP | 1.91 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 6321-45-5 |
| NORMAN SUSDAT | |
| FDA SRS | YZV641464H |
| PubChem | 80606 |
| ChemSpider | 72797.0 |
CONTENTS
