Molecule ID: mol4617

SMILES: CN1C=Nc2ccccc2C1O

InChI: InChI=1S/C9H10N2O/c1-11-6-10-8-5-3-2-4-7(8)9(11)12/h2-6,9,12H,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization