Molecule ID: mol38244

SMILES: O=S1(=O)OC(c2ccc(Nc3cccc(O)c3)cc2)(c2ccc(Nc3cccc(O)c3)cc2)c2ccccc21

InChI: InChI=1S/C31H24N2O5S/c34-27-7-3-5-25(19-27)32-23-15-11-21(12-16-23)31(29-9-1-2-10-30(29)39(36,37)38-31)22-13-17-24(18-14-22)33-26-6-4-8-28(35)20-26/h1-20,32-35H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization