| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 943S42HO0J |
| EPA CompTox | DTXSID2041331 |
Structure
| InChI Key | BNANYJKQNHOIPC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H15Cl3O3 |
| Molecular Weight | 324.01 |
| AlogP | 4.76 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 35.53 |
| Heavy Atoms | 19.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 120-39-8 |
| NORMAN SUSDAT | |
| FDA SRS | 943S42HO0J |
| PubChem | 8429 |
| ChemSpider | 8122.0 |
CONTENTS
