Molecule ID: mol35517

SMILES: Nc1c(N=Nc2ccc(-c3ccc(N=Nc4cc(S(=O)(=O)O)c5ccccc5c4N)cc3)cc2)cc(S(=O)(=O)O)c2ccccc12

InChI: InChI=1S/C32H24N6O6S2/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)37-35-21-13-9-19(10-14-21)20-11-15-22(16-12-20)36-38-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)34/h1-18H,33-34H2,(H,39,40,41)(H,42,43,44)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.74 QSARToolbox 0 » -1
5.14 QSARToolbox 0 » -1
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Charge States and Microspecies Visualization