Molecule ID: mol17256

SMILES: COc1cc2c(Nc3c(Cl)ccc4c3OCO4)ncnc2cc1OCCCN1CCOCC1

InChI: InChI=1S/C23H25ClN4O5/c1-29-19-11-15-17(12-20(19)31-8-2-5-28-6-9-30-10-7-28)25-13-26-23(15)27-21-16(24)3-4-18-22(21)33-14-32-18/h3-4,11-13H,2,5-10,14H2,1H3,(H,25,26,27)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.20 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization