Molecule ID: mol4620

SMILES: CN1C=NCc2ccccc21

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization