Molecule ID: mol37371

SMILES: O=[N+]([O-])c1cc(C=Nc2nnc(-c3ccccc3)s2)c(O)c([N+](=O)[O-])c1

InChI: InChI=1S/C15H9N5O5S/c21-13-10(6-11(19(22)23)7-12(13)20(24)25)8-16-15-18-17-14(26-15)9-4-2-1-3-5-9/h1-8,21H

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.45 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization