Molecule ID: mol17729

SMILES: COc1ccc(-c2nnc(C(=O)N3CCC(Oc4ccc(CN5CCOCC5)cc4)CC3)o2)cc1

InChI: InChI=1S/C26H30N4O5/c1-32-21-8-4-20(5-9-21)24-27-28-25(35-24)26(31)30-12-10-23(11-13-30)34-22-6-2-19(3-7-22)18-29-14-16-33-17-15-29/h2-9,23H,10-18H2,1H3

Experimental Macro pKa Values

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