| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID10192864 |
Structure
| InChI Key | DJDAPLBWGIXUAG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H6Cl1N1O4 |
| Molecular Weight | 215.0 |
| AlogP | 1.98 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 69.44 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 39787-83-2 |
| NORMAN SUSDAT | |
| PubChem | 3016113 |
| ChemSpider | 2284117.0 |
CONTENTS
