| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 37JG22448T |
| EPA CompTox | DTXSID70204518 |
| InChI Key | ZCZFEIZSYJAXKS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H14O5 |
| Molecular Weight | 190.08 |
| AlogP | -1.32 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 86.99 |
| Heavy Atoms | 13.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 55919-77-2 |
| NORMAN SUSDAT | |
| FDA SRS | 37JG22448T |
| PubChem | 91938 |
| ChemSpider | 83016.0 |