Molecule ID: mol16891

SMILES: COc1cccc(CNCCCNc2ccnc3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc23)c1O

InChI: InChI=1S/C28H25F6N3O2/c1-39-25-5-2-4-18(26(25)38)16-35-9-3-10-36-23-8-11-37-24-14-17(6-7-22(23)24)19-12-20(27(29,30)31)15-21(13-19)28(32,33)34/h2,4-8,11-15,35,38H,3,9-10,16H2,1H3,(H,36,37)

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