Molecule ID: mol36548

SMILES: CNCc1ccc2ccc3ccc(CNC)nc3c2n1

InChI: InChI=1S/C16H18N4/c1-17-9-13-7-5-11-3-4-12-6-8-14(10-18-2)20-16(12)15(11)19-13/h3-8,17-18H,9-10H2,1-2H3

Experimental Macro pKa Values

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