| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | AOX0D94LLR |
| EPA CompTox | DTXSID2021313 |
Structure
| InChI Key | BGPPUXMKKQMWLV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H3Cl4N1O3 |
| Molecular Weight | 288.89 |
| AlogP | 4.22 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 52.37 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 2438-88-2 |
| NORMAN SUSDAT | |
| FDA SRS | AOX0D94LLR |
CONTENTS
