Molecule ID: mol17728

SMILES: COc1ccc(-c2nnc(C(=O)N3CC(Oc4ccc(CN5CCOCC5)c(OC)c4)C3)o2)cc1

InChI: InChI=1S/C25H28N4O6/c1-31-19-6-3-17(4-7-19)23-26-27-24(35-23)25(30)29-15-21(16-29)34-20-8-5-18(22(13-20)32-2)14-28-9-11-33-12-10-28/h3-8,13,21H,9-12,14-16H2,1-2H3

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