| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | PWE56YK9ST |
| EPA CompTox | DTXSID20179686 |
Structure
| InChI Key | ADTKEYLCJYYHHH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H3Cl1N2O6 |
| Molecular Weight | 245.97 |
| AlogP | 1.85 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 123.58 |
| Heavy Atoms | 16.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 2497-91-8 |
| NORMAN SUSDAT | |
| FDA SRS | PWE56YK9ST |
| PubChem | 17247 |
| ChemSpider | 16326.0 |
CONTENTS
