Molecule ID: mol16918

SMILES: COc1cccc(CNCCCNc2ccnc3cc(CC(C)C)ccc23)c1O

InChI: InChI=1S/C24H31N3O2/c1-17(2)14-18-8-9-20-21(10-13-27-22(20)15-18)26-12-5-11-25-16-19-6-4-7-23(29-3)24(19)28/h4,6-10,13,15,17,25,28H,5,11-12,14,16H2,1-3H3,(H,26,27)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.47 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization