| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 3IK6592UBW |
| EPA CompTox | DTXSID30199653 |
| InChI Key | NEZONWMXZKDMKF-SNVBAGLBSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C16H16O5 |
| Molecular Weight | 288.1 |
| AlogP | 2.12 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 94.83 |
| Heavy Atoms | 21.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 517-89-5 |
| NORMAN SUSDAT | |
| FDA SRS | 3IK6592UBW |
| PubChem | 479503 |
| ChemSpider | 5019.0 |