Molecule ID: mol33858

SMILES: O=[N+]([O-])c1ccc(C(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1

InChI: InChI=1S/C19H10N6O12/c26-20(27)10-1-4-13(16(7-10)23(32)33)19(14-5-2-11(21(28)29)8-17(14)24(34)35)15-6-3-12(22(30)31)9-18(15)25(36)37/h1-9,19H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization