Molecule ID: mol17065

SMILES: Cc1cc(Cc2ccc(Cl)c(Oc3cc(C#N)cc(C#N)c3)c2F)n[nH]c1=O

InChI: InChI=1S/C20H12ClFN4O2/c1-11-4-15(25-26-20(11)27)8-14-2-3-17(21)19(18(14)22)28-16-6-12(9-23)5-13(7-16)10-24/h2-7H,8H2,1H3,(H,26,27)

Experimental Macro pKa Values

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