| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | V4EL38P3VW |
| EPA CompTox | DTXSID30171898 |
Structure
| InChI Key | GEOWCLRLLWTHDN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H6O2 |
| Molecular Weight | 122.04 |
| AlogP | 1.22 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1864-94-4 |
| NORMAN SUSDAT | |
| FDA SRS | V4EL38P3VW |
| PubChem | 74626 |
| ChemSpider | 67201.0 |
CONTENTS
