| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | RF6V2XW3SX |
| EPA CompTox | DTXSID70216459 |
Structure
| InChI Key | KHPZCNJKNIHKPI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H8Cl2N2O1 |
| Molecular Weight | 278.0 |
| AlogP | 4.1 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 35.01 |
| Heavy Atoms | 18.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 6626-40-0 |
| NORMAN SUSDAT | |
| FDA SRS | RF6V2XW3SX |
| PubChem | 23107 |
| ChemSpider | 21625.0 |
CONTENTS
