| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | CHG7QC509W |
| EPA CompTox | DTXSID70868972 |
Structure
| InChI Key | CVKNDPRBJVBDSS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H12Cl1N1O2 |
| Molecular Weight | 261.06 |
| AlogP | 3.37 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 42.35 |
| Heavy Atoms | 18.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 89943-82-8 |
| NORMAN SUSDAT | |
| FDA SRS | CHG7QC509W |
CONTENTS
