Molecule ID: mol16875

SMILES: COc1ccc(F)cc1CNCCCNc1ccnc2cc(Cc3ccc4c(c3)OCO4)ccc12

InChI: InChI=1S/C28H28FN3O3/c1-33-26-8-5-22(29)16-21(26)17-30-10-2-11-31-24-9-12-32-25-14-19(3-6-23(24)25)13-20-4-7-27-28(15-20)35-18-34-27/h3-9,12,14-16,30H,2,10-11,13,17-18H2,1H3,(H,31,32)

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