Molecule ID: mol16681

SMILES: COc1ccc(COc2cnn(CC(=O)c3ccc(CN(C)C)cc3C)c(=O)c2)nc1

InChI: InChI=1S/C23H26N4O4/c1-16-9-17(13-26(2)3)5-8-21(16)22(28)14-27-23(29)10-20(12-25-27)31-15-18-6-7-19(30-4)11-24-18/h5-12H,13-15H2,1-4H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.80 Baltruschat ChEMBL 2 » 1
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Charge States and Microspecies Visualization