Molecule ID: mol34251

SMILES: CCN(CC)CCCNc1nccc2c(C)c3[nH]c4ccncc4c3cc12

InChI: InChI=1S/C22H27N5/c1-4-27(5-2)12-6-9-24-22-18-13-17-19-14-23-10-8-20(19)26-21(17)15(3)16(18)7-11-25-22/h7-8,10-11,13-14,26H,4-6,9,12H2,1-3H3,(H,24,25)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.50 QSARToolbox 3 » 2
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Charge States and Microspecies Visualization