| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID50177579 |
Structure
| InChI Key | SQOOCOWOFKBMOB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H18O5 |
| Molecular Weight | 254.12 |
| AlogP | 0.87 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 64.99 |
| Heavy Atoms | 18.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 23022-51-7 |
| NORMAN SUSDAT | |
| PubChem | 89963 |
| ChemSpider | 81210.0 |
CONTENTS
