| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | DJ9EME6QBQ |
| EPA CompTox | DTXSID6065688 |
Structure
| InChI Key | MGPSIDGTLFKDEY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H14O3 |
| Molecular Weight | 158.09 |
| AlogP | 1.31 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 43.37 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 13984-57-1 |
| NORMAN SUSDAT | |
| FDA SRS | DJ9EME6QBQ |
| PubChem | 84130 |
| ChemSpider | 75900.0 |
CONTENTS
