Molecule ID: mol2925

SMILES: Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)O

InChI: InChI=1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20)

Experimental Macro pKa Values

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