Molecule ID: mol19877

SMILES: COc1ccc(CCNCC(O)COc2ccc(COCc3ncc[nH]3)cc2)cc1OC

InChI: InChI=1S/C24H31N3O5/c1-29-22-8-5-18(13-23(22)30-2)9-10-25-14-20(28)16-32-21-6-3-19(4-7-21)15-31-17-24-26-11-12-27-24/h3-8,11-13,20,25,28H,9-10,14-17H2,1-2H3,(H,26,27)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization