Molecule ID: mol19781

SMILES: O=C(Nc1cnccn1)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1

InChI: InChI=1S/C22H22ClN5O2/c23-18-4-6-19(7-5-18)30-20-3-1-2-17(14-20)16-27-10-12-28(13-11-27)22(29)26-21-15-24-8-9-25-21/h1-9,14-15H,10-13,16H2,(H,25,26,29)

Experimental Macro pKa Values

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