Molecule ID: mol17727

SMILES: O=C(c1nnc(-c2ccccc2)o1)N1CCC(Oc2ccc(CN3CCC(O)C3)cc2)CC1

InChI: InChI=1S/C25H28N4O4/c30-20-10-13-28(17-20)16-18-6-8-21(9-7-18)32-22-11-14-29(15-12-22)25(31)24-27-26-23(33-24)19-4-2-1-3-5-19/h1-9,20,22,30H,10-17H2

Experimental Macro pKa Values

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