Molecule ID: mol19696

SMILES: COc1cc2nc(N3CCCN(C(=O)N4CCOCC4)CC3)nc(N)c2cc1-c1ccccn1

InChI: InChI=1S/C24H29N7O3/c1-33-21-16-20-18(15-17(21)19-5-2-3-6-26-19)22(25)28-23(27-20)29-7-4-8-30(10-9-29)24(32)31-11-13-34-14-12-31/h2-3,5-6,15-16H,4,7-14H2,1H3,(H2,25,27,28)

Experimental Macro pKa Values

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