Molecule ID: mol3988

SMILES: CNc1nccnc1-c1nc(C)cc(C)n1

InChI: InChI=1S/C11H13N5/c1-7-6-8(2)16-11(15-7)9-10(12-3)14-5-4-13-9/h4-6H,1-3H3,(H,12,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization