Molecule ID: mol12134

SMILES: Nc1ccc(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(N)c3c2O)cc1

InChI: InChI=1S/C16H14N4O7S2/c17-9-1-3-10(4-2-9)19-20-15-13(29(25,26)27)6-8-5-11(28(22,23)24)7-12(18)14(8)16(15)21/h1-7,21H,17-18H2,(H,22,23,24)(H,25,26,27)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
12.34 IUPAC digitized pKa -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization