| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 1QS9G4876X |
| EPA CompTox | DTXSID50177312 |
Structure
| InChI Key | JYWIYHUXVMAGLG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H6Cl5N1O3 |
| Molecular Weight | 398.88 |
| AlogP | 6.0 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 73.05 |
| Heavy Atoms | 22.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 2277-92-1 |
| NORMAN SUSDAT | |
| FDA SRS | 1QS9G4876X |
| PubChem | 16779 |
| ChemSpider | 15904.0 |
CONTENTS
