Molecule ID: mol18009

SMILES: Cc1nc2c(CCc3ccccc3)cccn2c1CC#N

InChI: InChI=1S/C18H17N3/c1-14-17(11-12-19)21-13-5-8-16(18(21)20-14)10-9-15-6-3-2-4-7-15/h2-8,13H,9-11H2,1H3

Experimental Macro pKa Values

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