Molecule ID: mol16312

SMILES: N#Cc1cc(Cl)cc(Oc2c(Cl)ccc(CNC(=O)c3[nH]cnc3Cl)c2F)c1

InChI: InChI=1S/C18H10Cl3FN4O2/c19-11-3-9(6-23)4-12(5-11)28-16-13(20)2-1-10(14(16)22)7-24-18(27)15-17(21)26-8-25-15/h1-5,8H,7H2,(H,24,27)(H,25,26)

Experimental Macro pKa Values

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