Molecule ID: mol28559

SMILES: COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1

InChI: InChI=1S/C11H12N4O3S/c1-18-9-6-13-11(14-7-9)15-19(16,17)10-4-2-8(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.74 AttenGpKa training set 0 » -1
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Charge States and Microspecies Visualization