Molecule ID: mol2812

SMILES: CCOC(=O)N1CCC(C)(CN2CCC3(CC2)CN(S(C)(=O)=O)c2ncccc23)CC1

InChI: InChI=1S/C22H34N4O4S/c1-4-30-20(27)25-14-7-21(2,8-15-25)16-24-12-9-22(10-13-24)17-26(31(3,28)29)19-18(22)6-5-11-23-19/h5-6,11H,4,7-10,12-17H2,1-3H3

Experimental Macro pKa Values

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