| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID8021694 |
Structure
| InChI Key | KVYVAGCVKWBOBS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H8Cl1N1O3 |
| Molecular Weight | 249.02 |
| AlogP | 4.04 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 52.37 |
| Heavy Atoms | 17.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 39145-47-6 |
| NORMAN SUSDAT | |
| PubChem | 3016050 |
| ChemSpider | 779023.0 |
CONTENTS
