Molecule ID: mol2820

SMILES: CCc1ccc(-c2cnc(C)nc2NC2CCCC2)cc1

InChI: InChI=1S/C18H23N3/c1-3-14-8-10-15(11-9-14)17-12-19-13(2)20-18(17)21-16-6-4-5-7-16/h8-12,16H,3-7H2,1-2H3,(H,19,20,21)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.80 Novartis 1 » 0
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Charge States and Microspecies Visualization