Molecule ID: mol16985

SMILES: C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3cnn4ccccc34)n2)c(OC)cc1N1CC(N(C)C)C1

InChI: InChI=1S/C26H27ClN8O2/c1-5-24(36)30-19-10-20(23(37-4)11-22(19)34-14-16(15-34)33(2)3)31-26-28-13-18(27)25(32-26)17-12-29-35-9-7-6-8-21(17)35/h5-13,16H,1,14-15H2,2-4H3,(H,30,36)(H,28,31,32)

Experimental Macro pKa Values

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