| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | RN9AYQ8LES |
| EPA CompTox | DTXSID50159653 |
Structure
| InChI Key | AIQRJSXKXVZCJO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H8O1 |
| Molecular Weight | 132.06 |
| AlogP | 1.7 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 9.23 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 13610-02-1 |
| NORMAN SUSDAT | |
| FDA SRS | RN9AYQ8LES |
| PubChem | 83613 |
| ChemSpider | 75439.0 |
CONTENTS
