Molecule ID: mol2895

SMILES: Cc1c(CC(=O)O)c2cccnc2n1S(=O)(=O)c1ccc(Cl)cc1

InChI: InChI=1S/C16H13ClN2O4S/c1-10-14(9-15(20)21)13-3-2-8-18-16(13)19(10)24(22,23)12-6-4-11(17)5-7-12/h2-8H,9H2,1H3,(H,20,21)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.86 Novartis 0 » -1
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Charge States and Microspecies Visualization