| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 84XDL272K2 |
| EPA CompTox | DTXSID6074833 |
Structure
| InChI Key | TTWWZVGVBRPHLE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H5Cl2N1 |
| Molecular Weight | 172.98 |
| AlogP | 3.15 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 12.36 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 622-44-6 |
| NORMAN SUSDAT | |
| FDA SRS | 84XDL272K2 |
| PubChem | 12145 |
| ChemSpider | 11646.0 |
CONTENTS
