| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 06PSW1BPI2 |
| EPA CompTox | DTXSID10171058 |
Structure
| InChI Key | SHESIBIEPSTHMZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H10O2 |
| Molecular Weight | 138.07 |
| AlogP | 1.71 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 29.46 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 18102-31-3 |
| NORMAN SUSDAT | |
| FDA SRS | 06PSW1BPI2 |
| PubChem | 87455 |
| ChemSpider | 78889.0 |
CONTENTS
