Molecule ID: mol2862

SMILES: COc1ccc(OC)c(S(=O)(=O)N2CCC(CN3CCN(Cc4ccc(F)cc4)CC3)CC2)c1

InChI: InChI=1S/C25H34FN3O4S/c1-32-23-7-8-24(33-2)25(17-23)34(30,31)29-11-9-21(10-12-29)19-28-15-13-27(14-16-28)18-20-3-5-22(26)6-4-20/h3-8,17,21H,9-16,18-19H2,1-2H3

Experimental Macro pKa Values

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