Molecule ID: mol16392

SMILES: COc1cc(/C=C2\CCCN3C2=NOC[C@@H]3c2cc(F)c(F)c(F)c2)ccc1-n1cnc(C)c1

InChI: InChI=1S/C25H23F3N4O2/c1-15-12-31(14-29-15)21-6-5-16(9-23(21)33-2)8-17-4-3-7-32-22(13-34-30-25(17)32)18-10-19(26)24(28)20(27)11-18/h5-6,8-12,14,22H,3-4,7,13H2,1-2H3/b17-8+/t22-/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.70 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization