| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | N2WU0K04EH |
| EPA CompTox | DTXSID5026097 |
Structure
| InChI Key | MTBYTWZDRVOMBR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H1Cl4N1O2 |
| Molecular Weight | 258.88 |
| AlogP | 4.21 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 43.14 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 879-39-0 |
| NORMAN SUSDAT | |
| FDA SRS | N2WU0K04EH |
| PubChem | 13428 |
| ChemSpider | 12853.0 |
CONTENTS
