| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | P22YB6NX5X |
| EPA CompTox | DTXSID90232974 |
Structure
| InChI Key | YRYSPWUYQBDGOD-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H6O1 |
| Molecular Weight | 82.04 |
| AlogP | 0.17 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 6.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 84100-18-5 |
| NORMAN SUSDAT | |
| FDA SRS | P22YB6NX5X |
| PubChem | 3019670 |
| ChemSpider | 2286786.0 |
CONTENTS
