| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | JX9HS8NWE3 |
| EPA CompTox | DTXSID00158676 |
Structure
| InChI Key | LJRBOQLUSYCVQA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H3Cl3N2O4 |
| Molecular Weight | 343.92 |
| AlogP | 4.16 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 86.24 |
| Heavy Atoms | 21.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 13437-03-1 |
| NORMAN SUSDAT | |
| FDA SRS | JX9HS8NWE3 |
| PubChem | 83450 |
| ChemSpider | 75298.0 |
CONTENTS
