Molecule ID: mol21239

SMILES: Cc1cc(/C=C/C#N)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1

InChI: InChI=1S/C22H18N6/c1-15-12-18(4-3-10-23)13-16(2)21(15)27-20-9-11-25-22(28-20)26-19-7-5-17(14-24)6-8-19/h3-9,11-13H,1-2H3,(H2,25,26,27,28)/b4-3+

Experimental Macro pKa Values

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