Molecule ID: mol4623

SMILES: CC1NC=Nc2ccccc21

InChI: InChI=1S/C9H10N2/c1-7-8-4-2-3-5-9(8)11-6-10-7/h2-7H,1H3,(H,10,11)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.15 IUPAC digitized pKa 1 » 0
9.19 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization