Molecule ID: mol1971

SMILES: O=C(c1ccc(-c2nn[nH]n2)cc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1

InChI: InChI=1S/C24H26Cl2N6O2/c25-21-6-5-20(15-22(21)26)34-19-9-13-31(14-10-19)18-7-11-32(12-8-18)24(33)17-3-1-16(2-4-17)23-27-29-30-28-23/h1-6,15,18-19H,7-14H2,(H,27,28,29,30)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
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Charge States and Microspecies Visualization