Molecule ID: mol19905

SMILES: COc1ccc(CCNCC(O)COc2ccc(-c3ncco3)cc2)cc1OC

InChI: InChI=1S/C22H26N2O5/c1-26-20-8-3-16(13-21(20)27-2)9-10-23-14-18(25)15-29-19-6-4-17(5-7-19)22-24-11-12-28-22/h3-8,11-13,18,23,25H,9-10,14-15H2,1-2H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.40 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization