| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 8JM4UCP94P |
| EPA CompTox | DTXSID7041334 |
Structure
| InChI Key | RTWCZQFXFMXXKP-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H9Cl3O3 |
| Molecular Weight | 281.96 |
| AlogP | 3.89 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 46.53 |
| Heavy Atoms | 16.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 93-80-1 |
| NORMAN SUSDAT | |
| FDA SRS | 8JM4UCP94P |
| PubChem | 7162 |
| ChemSpider | 6895.0 |
CONTENTS
