| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 539V5Y7R7K |
| EPA CompTox | DTXSID30181290 |
Structure
| InChI Key | OFMRACCIIIDSDN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H1Cl3N2O4 |
| Molecular Weight | 269.9 |
| AlogP | 3.46 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 86.28 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 2678-21-9 |
| NORMAN SUSDAT | |
| FDA SRS | 539V5Y7R7K |
| PubChem | 17584 |
| ChemSpider | 16626.0 |
CONTENTS
