Molecule ID: mol16909

SMILES: COc1cccc(CNCCCNc2ccnc3cc(Cc4ccc(C#N)cc4)ccc23)c1O

InChI: InChI=1S/C28H28N4O2/c1-34-27-5-2-4-23(28(27)33)19-30-13-3-14-31-25-12-15-32-26-17-22(10-11-24(25)26)16-20-6-8-21(18-29)9-7-20/h2,4-12,15,17,30,33H,3,13-14,16,19H2,1H3,(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