Molecule ID: mol18024

SMILES: Cc1ccn2c(CC#N)c(C)nc2c1OCc1ccccc1

InChI: InChI=1S/C18H17N3O/c1-13-9-11-21-16(8-10-19)14(2)20-18(21)17(13)22-12-15-6-4-3-5-7-15/h3-7,9,11H,8,12H2,1-2H3

Experimental Macro pKa Values

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