| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 2IGW7XIE2Y |
| EPA CompTox | DTXSID4057972 |
Structure
| InChI Key | BKAYSPSVVJBHHK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C16H14Cl2O1 |
| Molecular Weight | 292.04 |
| AlogP | 4.64 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 19.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 14088-71-2 |
| NORMAN SUSDAT | |
| FDA SRS | 2IGW7XIE2Y |
| PubChem | 26450 |
| ChemSpider | 24639.0 |
CONTENTS
