Molecule ID: mol19899

SMILES: COc1ccc(CCNCC(O)COc2ccc(-c3nc(Br)c(C)[nH]3)cc2)cc1OC

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

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.80 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization