Molecule ID: mol21657

SMILES: N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(Cl)cc1-c1cn[nH]c1

InChI: InChI=1S/C18H11ClN6O3S2/c19-13-1-3-17(15(6-13)12-8-22-23-9-12)28-16-4-2-14(5-11(16)7-20)30(26,27)25-18-21-10-24-29-18/h1-6,8-10H,(H,22,23)(H,21,24,25)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.50 Baltruschat ChEMBL 0 » -1
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Charge States and Microspecies Visualization