Molecule ID: mol4614

SMILES: C1=Nc2ccccc2CN1

InChI: InChI=1S/C8H8N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-4,6H,5H2,(H,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization