Molecule ID: mol20035

SMILES: Nc1cccc(Cn2c(-c3ccc(Oc4ccccn4)cc3)ccc2-c2ccccc2Cl)n1

InChI: InChI=1S/C27H21ClN4O/c28-23-8-2-1-7-22(23)25-16-15-24(32(25)18-20-6-5-9-26(29)31-20)19-11-13-21(14-12-19)33-27-10-3-4-17-30-27/h1-17H,18H2,(H2,29,31)

Experimental Macro pKa Values

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