Molecule ID: mol7694

SMILES: O=[N+]([O-])c1ccc2cc[nH]c2c1

InChI: InChI=1S/C8H6N2O2/c11-10(12)7-2-1-6-3-4-9-8(6)5-7/h1-5,9H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization