Molecule ID: mol19682

SMILES: COc1cc(C2(c3cccc(-c4cncnc4)c3)N=C(N)c3c(F)cccc32)ccn1

InChI: InChI=1S/C24H18FN5O/c1-31-21-11-18(8-9-29-21)24(19-6-3-7-20(25)22(19)23(26)30-24)17-5-2-4-15(10-17)16-12-27-14-28-13-16/h2-14H,1H3,(H2,26,30)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.10 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization