Molecule ID: mol20220

SMILES: CCNc1ccc(Nc2c3ccccc3nc3ccccc23)cc1

InChI: InChI=1S/C21H19N3/c1-2-22-15-11-13-16(14-12-15)23-21-17-7-3-5-9-19(17)24-20-10-6-4-8-18(20)21/h3-14,22H,2H2,1H3,(H,23,24)

Experimental Macro pKa Values

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