Molecule ID: mol20143

SMILES: CC(C)c1cc(C(=O)N2Cc3ccc(N4CCN(C)CC4)cc3C2)c(O)cc1O

InChI: InChI=1S/C23H29N3O3/c1-15(2)19-11-20(22(28)12-21(19)27)23(29)26-13-16-4-5-18(10-17(16)14-26)25-8-6-24(3)7-9-25/h4-5,10-12,15,27-28H,6-9,13-14H2,1-3H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.30 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization