Molecule ID: mol16876

SMILES: COc1cccc(CNCCCNc2ccnc3cc(-c4ccc(C(F)(F)F)cc4)ccc23)c1O

InChI: InChI=1S/C27H26F3N3O2/c1-35-25-5-2-4-20(26(25)34)17-31-13-3-14-32-23-12-15-33-24-16-19(8-11-22(23)24)18-6-9-21(10-7-18)27(28,29)30/h2,4-12,15-16,31,34H,3,13-14,17H2,1H3,(H,32,33)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization