| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | WBZ9Q23H2T |
| EPA CompTox | DTXSID5061324 |
Structure
| InChI Key | KTJRGPZVSKWRTJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H9Cl1O1 |
| Molecular Weight | 168.03 |
| AlogP | 2.5 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 936-59-4 |
| NORMAN SUSDAT | |
| FDA SRS | WBZ9Q23H2T |
| PubChem | 70295 |
| ChemSpider | 63478.0 |
CONTENTS
