| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | ADD6HX45UN |
| EPA CompTox | DTXSID10234591 |
Structure
| InChI Key | XHTLNOREYRWMPY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H11Cl1O3 |
| Molecular Weight | 262.04 |
| AlogP | 3.4 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 46.53 |
| Heavy Atoms | 18.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 85392-26-3 |
| NORMAN SUSDAT | |
| FDA SRS | ADD6HX45UN |
| PubChem | 2402551 |
| ChemSpider | 1794159.0 |
CONTENTS
