Molecule ID: mol19783

SMILES: O=C(Nc1cc[nH]n1)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1

InChI: InChI=1S/C21H22ClN5O2/c22-17-4-6-18(7-5-17)29-19-3-1-2-16(14-19)15-26-10-12-27(13-11-26)21(28)24-20-8-9-23-25-20/h1-9,14H,10-13,15H2,(H2,23,24,25,28)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.50 Baltruschat ChEMBL 2 » 1
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Charge States and Microspecies Visualization