Molecule ID: mol18016

SMILES: Cc1nc2c(/C=C/Cc3ccccc3)cccn2c1CC#N

InChI: InChI=1S/C19H17N3/c1-15-18(12-13-20)22-14-6-11-17(19(22)21-15)10-5-9-16-7-3-2-4-8-16/h2-8,10-11,14H,9,12H2,1H3/b10-5+

Experimental Macro pKa Values

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