| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | F22RLS78BD |
| EPA CompTox | DTXSID5060227 |
| InChI Key | GQKZBCPTCWJTAS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H10O1 |
| Molecular Weight | 122.07 |
| AlogP | 1.83 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 9.23 |
| Heavy Atoms | 9.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 538-86-3 |
| NORMAN SUSDAT | |
| FDA SRS | F22RLS78BD |
| PubChem | 10869 |
| ChemSpider | 21170543.0 |