Molecule ID: mol30914

SMILES: O=C(Oc1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])ccc1O

InChI: InChI=1S/C13H8N2O7/c16-12-6-3-9(15(20)21)7-11(12)13(17)22-10-4-1-8(2-5-10)14(18)19/h1-7,16H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization