| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | D3R09N552F |
| EPA CompTox | DTXSID10183070 |
Structure
| InChI Key | GUDQIKIAWOAOFP-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H12O2 |
| Molecular Weight | 164.08 |
| AlogP | 2.38 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 37.3 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 2887-61-8 |
| NORMAN SUSDAT | |
| FDA SRS | D3R09N552F |
| PubChem | 76157 |
| ChemSpider | 68641.0 |
CONTENTS
