Molecule ID: mol36797

SMILES: O=C1C(O)Oc2cc([N+](=O)[O-])ccc2N1O

InChI: InChI=1S/C8H6N2O6/c11-7-8(12)16-6-3-4(10(14)15)1-2-5(6)9(7)13/h1-3,8,12-13H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization