| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | F39YW2EN9X |
| EPA CompTox | DTXSID50202294 |
Structure
| InChI Key | KBQBNJHOTNIGDD-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H6I1N1O3 |
| Molecular Weight | 278.94 |
| AlogP | 2.21 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 52.37 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 5399-03-1 |
| NORMAN SUSDAT | |
| FDA SRS | F39YW2EN9X |
| PubChem | 94806 |
| ChemSpider | 85539.0 |
CONTENTS
