| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID70200590 |
Structure
| InChI Key | CCVNZKGBNUPYPG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H6Cl1N1O1 |
| Molecular Weight | 143.01 |
| AlogP | 1.74 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 22.12 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 52605-96-6 |
| NORMAN SUSDAT | |
| PubChem | 104252 |
| ChemSpider | 94117.0 |
CONTENTS
