Molecule ID: mol32056

SMILES: O=C(C1CCN(c2ccncc2)CC1)N1CCN(S(=O)(=O)c2ccc(I)cc2)CC1

InChI: InChI=1S/C21H25IN4O3S/c22-18-1-3-20(4-2-18)30(28,29)26-15-13-25(14-16-26)21(27)17-7-11-24(12-8-17)19-5-9-23-10-6-19/h1-6,9-10,17H,7-8,11-16H2

Experimental Macro pKa Values

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