| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID00202365 |
Structure
| InChI Key | VUHUVRUYCQVHDT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H15Cl1O3 |
| Molecular Weight | 242.07 |
| AlogP | 3.01 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 35.53 |
| Heavy Atoms | 16.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 54022-77-4 |
| NORMAN SUSDAT | |
| PubChem | 104674 |
| ChemSpider | 94496.0 |
CONTENTS
