Molecule ID: mol17746

SMILES: O=C(c1nnc(-c2ccccc2)o1)N1CC(Oc2ccc(CN3CC4(CCOC4)C3)cc2)C1

InChI: InChI=1S/C25H26N4O4/c30-24(23-27-26-22(33-23)19-4-2-1-3-5-19)29-13-21(14-29)32-20-8-6-18(7-9-20)12-28-15-25(16-28)10-11-31-17-25/h1-9,21H,10-17H2

Experimental Macro pKa Values

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