Molecule ID: mol16849

SMILES: COc1ccc(F)cc1CNCCCNc1ccnc2cc(Oc3ccccc3)ccc12

InChI: InChI=1S/C26H26FN3O2/c1-31-26-11-8-20(27)16-19(26)18-28-13-5-14-29-24-12-15-30-25-17-22(9-10-23(24)25)32-21-6-3-2-4-7-21/h2-4,6-12,15-17,28H,5,13-14,18H2,1H3,(H,29,30)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization