| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | TJ4YF4I9UI |
| EPA CompTox | DTXSID6052407 |
Structure
| InChI Key | NPPXYBKPTKBFMG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H7Cl5O1 |
| Molecular Weight | 281.89 |
| AlogP | 4.94 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 9.23 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 68334-67-8 |
| NORMAN SUSDAT | |
| FDA SRS | TJ4YF4I9UI |
| PubChem | 50144 |
| ChemSpider | 2298150.0 |
CONTENTS
