Molecule ID: mol35931

SMILES: O=[N+]([O-])c1ccc(C(c2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1

InChI: InChI=1S/C19H12N4O8/c24-20(25)14-5-1-12(2-6-14)19(13-3-7-15(8-4-13)21(26)27)17-10-9-16(22(28)29)11-18(17)23(30)31/h1-11,19H

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.93 QSARToolbox 0 » -1
10.86 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization