Molecule ID: mol13419

SMILES: Nc1cccc([I+]c2ccccc2)c1

InChI: InChI=1S/C12H11IN/c14-12-8-4-7-11(9-12)13-10-5-2-1-3-6-10/h1-9H,14H2/q+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.87 Datawarrior 2 » 1
1.87 OCHEM 2 » 1
1.87 QSARToolbox 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization