| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | DQ1N9R01IA |
| EPA CompTox | DTXSID7060388 |
Structure
| InChI Key | JECYUBVRTQDVAT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H8O2 |
| Molecular Weight | 136.05 |
| AlogP | 1.59 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 37.3 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 582-24-1 |
| NORMAN SUSDAT | |
| FDA SRS | DQ1N9R01IA |
| PubChem | 8375 |
| ChemSpider | 21105920.0 |
CONTENTS
