Molecule ID: mol7314

SMILES: Nc1ncc(-c2ccccc2)c(N)n1

InChI: InChI=1S/C10H10N4/c11-9-8(6-13-10(12)14-9)7-4-2-1-3-5-7/h1-6H,(H4,11,12,13,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization