Molecule ID: mol35901

SMILES: CCOc1cc(Cc2cnc(N)nc2N)cc(OCC)c1C(C)(C)O

InChI: InChI=1S/C18H26N4O3/c1-5-24-13-8-11(7-12-10-21-17(20)22-16(12)19)9-14(25-6-2)15(13)18(3,4)23/h8-10,23H,5-7H2,1-4H3,(H4,19,20,21,22)

Experimental Macro pKa Values

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