| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 0YFY8PZD2M |
| EPA CompTox | DTXSID5026203 |
Structure
| InChI Key | IBRBMZRLVYKVRF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H2Cl3N1O2 |
| Molecular Weight | 224.92 |
| AlogP | 3.56 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 43.14 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 89-69-0 |
| NORMAN SUSDAT | |
| FDA SRS | 0YFY8PZD2M |
| PubChem | 6983 |
| ChemSpider | 21106575.0 |
CONTENTS
