Molecule ID: mol19878

SMILES: COc1ccc(CCNCC(O)COc2ccc(-c3nc(C)c[nH]3)cc2OC)cc1OC

InChI: InChI=1S/C24H31N3O5/c1-16-13-26-24(27-16)18-6-8-21(23(12-18)31-4)32-15-19(28)14-25-10-9-17-5-7-20(29-2)22(11-17)30-3/h5-8,11-13,19,25,28H,9-10,14-15H2,1-4H3,(H,26,27)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization