| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 2PDG6ME2TL |
| EPA CompTox | DTXSID70202175 |
Structure
| InChI Key | CRWVOXFUXPYTRK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H8O1 |
| Molecular Weight | 84.06 |
| AlogP | 0.39 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 6.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 5390-04-5 |
| NORMAN SUSDAT | |
| FDA SRS | 2PDG6ME2TL |
| PubChem | 79346 |
| ChemSpider | 71666.0 |
CONTENTS
