Molecule ID: mol4622

SMILES: CN1C=Nc2ccccc2C1

InChI: InChI=1S/C9H10N2/c1-11-6-8-4-2-3-5-9(8)10-7-11/h2-5,7H,6H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization