Molecule ID: mol35323

SMILES: Cc1[nH]cnc1CN(CCc1c[nH]cn1)Cc1nc[nH]c1C

InChI: InChI=1S/C15H21N7/c1-11-14(20-9-17-11)6-22(4-3-13-5-16-8-19-13)7-15-12(2)18-10-21-15/h5,8-10H,3-4,6-7H2,1-2H3,(H,16,19)(H,17,20)(H,18,21)

Experimental Macro pKa Values

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