Molecule ID: mol37061

SMILES: COc1cc(Cc2cnc(N)nc2N)cc(OC)c1-n1cccc1

InChI: InChI=1S/C17H19N5O2/c1-23-13-8-11(7-12-10-20-17(19)21-16(12)18)9-14(24-2)15(13)22-5-3-4-6-22/h3-6,8-10H,7H2,1-2H3,(H4,18,19,20,21)

Experimental Macro pKa Values

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