Molecule ID: mol19002

SMILES: COc1ccc(CN(C)Cc2ccccc2CNc2ccnc3cc(Cl)ccc23)cc1

InChI: InChI=1S/C26H26ClN3O/c1-30(17-19-7-10-23(31-2)11-8-19)18-21-6-4-3-5-20(21)16-29-25-13-14-28-26-15-22(27)9-12-24(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
7.47 Baltruschat ChEMBL 2 » 1
9.85 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization