Molecule ID: mol7323

SMILES: COc1cc(-c2cnc(N)nc2N)cc(OC)c1OC

InChI: InChI=1S/C13H16N4O3/c1-18-9-4-7(5-10(19-2)11(9)20-3)8-6-16-13(15)17-12(8)14/h4-6H,1-3H3,(H4,14,15,16,17)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.70 QSARToolbox 1 » 0
6.70 IUPAC digitized pKa 1 » 0
6.70 OCHEM 1 » 0
6.70 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization