Molecule ID: mol16914

SMILES: COc1cccc(CNCCCNc2ccnc3cc(CCc4ccccc4)ccc23)c1O

InChI: InChI=1S/C28H31N3O2/c1-33-27-10-5-9-23(28(27)32)20-29-16-6-17-30-25-15-18-31-26-19-22(13-14-24(25)26)12-11-21-7-3-2-4-8-21/h2-5,7-10,13-15,18-19,29,32H,6,11-12,16-17,20H2,1H3,(H,30,31)

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