Molecule ID: mol16843

SMILES: COc1ccc(F)cc1CNCCCNc1ccnc2cc(Oc3cccc(N(C)C)c3)ccc12

InChI: InChI=1S/C28H31FN4O2/c1-33(2)22-6-4-7-23(17-22)35-24-9-10-25-26(12-15-32-27(25)18-24)31-14-5-13-30-19-20-16-21(29)8-11-28(20)34-3/h4,6-12,15-18,30H,5,13-14,19H2,1-3H3,(H,31,32)

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