Molecule ID: mol16883

SMILES: c1coc(CNCCCNc2ccnc3cc(Cc4ccc5c(c4)OCO5)ccc23)c1

InChI: InChI=1S/C25H25N3O3/c1-3-20(29-12-1)16-26-9-2-10-27-22-8-11-28-23-14-18(4-6-21(22)23)13-19-5-7-24-25(15-19)31-17-30-24/h1,3-8,11-12,14-15,26H,2,9-10,13,16-17H2,(H,27,28)

Experimental Macro pKa Values

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