Molecule ID: mol19676

SMILES: Cc1cc(C2(c3cccc(-c4cncnc4)c3)N=C(N)c3c(F)cccc32)cn(C)c1=O

InChI: InChI=1S/C25H20FN5O/c1-15-9-19(13-31(2)24(15)32)25(20-7-4-8-21(26)22(20)23(27)30-25)18-6-3-5-16(10-18)17-11-28-14-29-12-17/h3-14H,1-2H3,(H2,27,30)

Experimental Macro pKa Values

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