| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 618QV11Q2U |
| EPA CompTox | DTXSID2058047 |
Structure
| InChI Key | ZIEWAMOXCOLNSJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H6Cl3N1O3 |
| Molecular Weight | 316.94 |
| AlogP | 3.28 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 66.73 |
| Heavy Atoms | 19.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 27541-88-4 |
| NORMAN SUSDAT | |
| FDA SRS | 618QV11Q2U |
| PubChem | 94382 |
| ChemSpider | 85176.0 |
CONTENTS
