| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 7232H4RT7Q |
| EPA CompTox | DTXSID9047203 |
Structure
| InChI Key | FKTSMIXZGPUSJB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H14O3 |
| Molecular Weight | 194.09 |
| AlogP | 2.02 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 35.53 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 23495-12-7 |
| NORMAN SUSDAT | |
| FDA SRS | 7232H4RT7Q |
| PubChem | 31954 |
| ChemSpider | 29632.0 |
CONTENTS
