| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 19NOL5474Q |
| EPA CompTox | DTXSID7075395 |
Structure
| InChI Key | XPFCZYUVICHKDS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H12O2 |
| Molecular Weight | 104.08 |
| AlogP | 0.14 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 40.46 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 2568-33-4 |
| NORMAN SUSDAT | |
| FDA SRS | 19NOL5474Q |
| PubChem | 247470 |
| ChemSpider | 216628.0 |
CONTENTS
