| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | H2T2UK4JAP |
| EPA CompTox | DTXSID4060155 |
Structure
| InChI Key | BYDRTKVGBRTTIT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H8O1 |
| Molecular Weight | 72.06 |
| AlogP | 0.55 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 5.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 513-42-8 |
| NORMAN SUSDAT | |
| FDA SRS | H2T2UK4JAP |
| PubChem | 10557 |
| ChemSpider | 10117.0 |
CONTENTS
