| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 8FXE7E3APL |
| EPA CompTox | DTXSID501269541 |
Structure
| InChI Key | WLDAAMXETLHTER-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H9NO2 |
| Molecular Weight | 163.06 |
| AlogP | 1.25 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 53.25 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 33646-40-1 |
| NORMAN SUSDAT | |
| FDA SRS | 8FXE7E3APL |
| PubChem | 36571 |
CONTENTS
