Molecule ID: mol21083

SMILES: CC1(c2cccc(-c3cncnc3)c2)N=C(N)c2c(F)cccc2O1

InChI: InChI=1S/C19H15FN4O/c1-19(24-18(21)17-15(20)6-3-7-16(17)25-19)14-5-2-4-12(8-14)13-9-22-11-23-10-13/h2-11H,1H3,(H2,21,24)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization