| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | F17V6C9PZX |
| EPA CompTox | DTXSID6044430 |
Structure
| InChI Key | OTKCEEWUXHVZQI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H12O1 |
| Molecular Weight | 196.09 |
| AlogP | 3.11 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 451-40-1 |
| NORMAN SUSDAT | |
| FDA SRS | F17V6C9PZX |
| PubChem | 9948 |
| ChemSpider | 9554.0 |
CONTENTS
