Molecule ID: mol2592

SMILES: Clc1ccc(CO[C@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1

InChI: InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2/t18-/m1/s1

Experimental Macro pKa Values

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