| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 6DK0IR9LLR |
| EPA CompTox | DTXSID9027231 |
Structure
| InChI Key | JJMOMMLADQPZNY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H10O2 |
| Molecular Weight | 102.07 |
| AlogP | 0.2 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 37.3 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 597-31-9 |
| NORMAN SUSDAT | |
| FDA SRS | 6DK0IR9LLR |
| PubChem | 11699 |
| ChemSpider | 11207.0 |
CONTENTS
