Molecule ID: mol25204

SMILES: Cc1c([N+](=O)[O-])cc[n+](O)c1I

InChI: InChI=1S/C6H6IN2O3/c1-4-5(9(11)12)2-3-8(10)6(4)7/h2-3,10H,1H3/q+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-2.33 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization