Molecule ID: mol20141

SMILES: CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCOCC4)cc3C2)c(O)cc1O

InChI: InChI=1S/C23H28N2O4/c1-15(2)19-10-20(22(27)11-21(19)26)23(28)25-13-17-4-3-16(9-18(17)14-25)12-24-5-7-29-8-6-24/h3-4,9-11,15,26-27H,5-8,12-14H2,1-2H3

Experimental Macro pKa Values

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