| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | PLX6ML3WN6 |
| EPA CompTox | DTXSID30185778 |
Structure
| InChI Key | HCPORNAVHSWTOJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H8O2 |
| Molecular Weight | 124.05 |
| AlogP | 1.87 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 30.21 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 3194-15-8 |
| NORMAN SUSDAT | |
| FDA SRS | PLX6ML3WN6 |
| PubChem | 76662 |
| ChemSpider | 69124.0 |
CONTENTS
