Molecule ID: mol17748

SMILES: O=C(c1nnc(-c2ccccc2)o1)N1CC(Oc2ccc(CN3CC4(CCCO4)C3)cc2)C1

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

Experimental Macro pKa Values

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