| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 4D4MB5FE9P |
| EPA CompTox | DTXSID90192786 |
Structure
| InChI Key | XTSGZXRUCAWXKY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H6Cl1N1O2 |
| Molecular Weight | 171.01 |
| AlogP | 2.56 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 43.14 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 3970-40-9 |
| NORMAN SUSDAT | |
| FDA SRS | 4D4MB5FE9P |
| PubChem | 77591 |
| ChemSpider | 69996.0 |
CONTENTS
