Molecule ID: mol19695

SMILES: COc1cc2nc(N3CCCN(C(=O)N4CCOCC4)CC3)nc(N)c2c(-c2ccccn2)c1OC

InChI: InChI=1S/C25H31N7O4/c1-34-19-16-18-21(20(22(19)35-2)17-6-3-4-7-27-17)23(26)29-24(28-18)30-8-5-9-31(11-10-30)25(33)32-12-14-36-15-13-32/h3-4,6-7,16H,5,8-15H2,1-2H3,(H2,26,28,29)

Experimental Macro pKa Values

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