Molecule ID: mol19001

SMILES: COc1ccc(CN(C)Cc2cccc(CNc3ccnc4cc(Cl)ccc34)c2)cc1

InChI: InChI=1S/C26H26ClN3O/c1-30(17-19-6-9-23(31-2)10-7-19)18-21-5-3-4-20(14-21)16-29-25-12-13-28-26-15-22(27)8-11-24(25)26/h3-15H,16-18H2,1-2H3,(H,28,29)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.38 Baltruschat ChEMBL 2 » 1
9.67 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization