| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID80545500 |
Structure
| InChI Key | CILNDTIZKQCRPI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H14O2 |
| Molecular Weight | 190.1 |
| AlogP | 2.71 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 37.3 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 35888-91-6 |
| NORMAN SUSDAT | |
| PubChem | 13633788 |
| ChemSpider | 14870216.0 |
CONTENTS
