Molecule ID: mol2927

SMILES: Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(F)cc1

InChI: InChI=1S/C18H13ClFN3/c1-12-17(8-3-14-9-10-21-18(19)11-14)22-13(2)23(12)16-6-4-15(20)5-7-16/h4-7,9-11H,1-2H3

Experimental Macro pKa Values

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