| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 5NK2SPG7WE |
| EPA CompTox | DTXSID40219992 |
| InChI Key | YCENSLDYFDZUMO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H18O5 |
| Molecular Weight | 254.12 |
| AlogP | 2.58 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 64.99 |
| Heavy Atoms | 18.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 6970-19-0 |
| NORMAN SUSDAT | |
| FDA SRS | 5NK2SPG7WE |
| PubChem | 81432 |
| ChemSpider | 73476.0 |