Molecule ID: mol20680

SMILES: O=C(CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(c2cnc3ccccn23)CC1

InChI: InChI=1S/C25H24ClN3O3S/c26-21-6-4-20-16-22(7-5-19(20)15-21)33(31,32)14-10-25(30)28-12-8-18(9-13-28)23-17-27-24-3-1-2-11-29(23)24/h1-7,11,15-18H,8-10,12-14H2

Experimental Macro pKa Values

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