Molecule ID: mol20667

SMILES: C[C@@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)Cc2ccccc2C(N)=N1

InChI: InChI=1S/C22H18ClFN4O/c1-22(11-13-4-2-3-5-16(13)20(25)28-22)17-10-15(7-8-18(17)24)27-21(29)19-9-6-14(23)12-26-19/h2-10,12H,11H2,1H3,(H2,25,28)(H,27,29)/t22-/m0/s1

Experimental Macro pKa Values

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