| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 75Z6RD9N6N |
| EPA CompTox | DTXSID30177658 |
Structure
| InChI Key | PNXVQYABDFYOFY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H6Cl1N1O3 |
| Molecular Weight | 199.0 |
| AlogP | 2.45 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 60.21 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 23082-50-0 |
| NORMAN SUSDAT | |
| FDA SRS | 75Z6RD9N6N |
| PubChem | 89996 |
| ChemSpider | 81243.0 |
CONTENTS
