Molecule ID: mol19694

SMILES: COc1cc2nc(N3CCCN(C(=O)N4CCOCC4)CC3)cc(N)c2c(-c2ncco2)c1OC

InChI: InChI=1S/C24H30N6O5/c1-32-18-15-17-20(21(22(18)33-2)23-26-4-11-35-23)16(25)14-19(27-17)28-5-3-6-29(8-7-28)24(31)30-9-12-34-13-10-30/h4,11,14-15H,3,5-10,12-13H2,1-2H3,(H2,25,27)

Experimental Macro pKa Values

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