| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | SNK5JLK3FA |
| EPA CompTox | DTXSID20227717 |
Structure
| InChI Key | CUTFAPGINUFNQM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H4Br1N1O3 |
| Molecular Weight | 216.94 |
| AlogP | 2.06 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 63.37 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 7693-52-9 |
| NORMAN SUSDAT | |
| FDA SRS | SNK5JLK3FA |
| PubChem | 24364 |
| ChemSpider | 22779.0 |
CONTENTS
