Molecule ID: mol35737

SMILES: O=C(Nc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1

InChI: InChI=1S/C19H14N2O6S/c22-19(14-4-2-1-3-5-14)20-15-6-12-18(13-7-15)28(25,26)27-17-10-8-16(9-11-17)21(23)24/h1-13H,(H,20,22)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization