Molecule ID: mol34036

SMILES: CCOc1cc(Cc2cnc(N)nc2N)cc(OCC)c1-n1cccc1

InChI: InChI=1S/C19H23N5O2/c1-3-25-15-10-13(9-14-12-22-19(21)23-18(14)20)11-16(26-4-2)17(15)24-7-5-6-8-24/h5-8,10-12H,3-4,9H2,1-2H3,(H4,20,21,22,23)

Experimental Macro pKa Values

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