| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID30188946 |
Structure
| InChI Key | VSPMOFKIMQJPCS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H14O4 |
| Molecular Weight | 198.09 |
| AlogP | 1.1 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 47.92 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 35445-71-7 |
| NORMAN SUSDAT | |
| PubChem | 3015780 |
| ChemSpider | 2283849.0 |
CONTENTS
