Molecule ID: mol19896

SMILES: COc1ccc(CCNCC(O)COc2ccc(-c3nc(C)c[nH]3)cc2Br)cc1OC

InChI: InChI=1S/C23H28BrN3O4/c1-15-12-26-23(27-15)17-5-7-20(19(24)11-17)31-14-18(28)13-25-9-8-16-4-6-21(29-2)22(10-16)30-3/h4-7,10-12,18,25,28H,8-9,13-14H2,1-3H3,(H,26,27)

Experimental Macro pKa Values

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