Molecule ID: mol35474

SMILES: Cc1cc(-c2ccccc2)nnc1NCCN

InChI: InChI=1S/C13H16N4/c1-10-9-12(11-5-3-2-4-6-11)16-17-13(10)15-8-7-14/h2-6,9H,7-8,14H2,1H3,(H,15,17)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.49 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization