Molecule ID: mol18015

SMILES: Cc1c(CC#N)nc2c(OCc3ccccc3)cccn12

InChI: InChI=1S/C17H15N3O/c1-13-15(9-10-18)19-17-16(8-5-11-20(13)17)21-12-14-6-3-2-4-7-14/h2-8,11H,9,12H2,1H3

Experimental Macro pKa Values

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