Molecule ID: mol20750

SMILES: CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1

InChI: InChI=1S/C18H28N2O3S/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18/h2,5-6,14-16,21H,3-4,7-13H2,1H3/t16-/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
10.40 Baltruschat ChEMBL 0 » -1
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Charge States and Microspecies Visualization