Molecule ID: mol37941

SMILES: O=S(=O)(O)c1cc(Nc2nc(Cl)nc(Cl)n2)c2c(O)c(N=Nc3ccccc3)c(S(=O)(=O)O)cc2c1

InChI: InChI=1S/C19H12Cl2N6O7S2/c20-17-23-18(21)25-19(24-17)22-12-8-11(35(29,30)31)6-9-7-13(36(32,33)34)15(16(28)14(9)12)27-26-10-4-2-1-3-5-10/h1-8,28H,(H,29,30,31)(H,32,33,34)(H,22,23,24,25)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.68 QSARToolbox -1 » -2
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Charge States and Microspecies Visualization