Molecule ID: mol25206

SMILES: Cc1cc([N+](=O)[O-])cc(I)[n+]1O

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

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-2.67 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization