Molecule ID: mol4630

SMILES: Cc1nc(C)c2ccccc2n1

InChI: InChI=1S/C10H10N2/c1-7-9-5-3-4-6-10(9)12-8(2)11-7/h3-6H,1-2H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.58 QSARToolbox 1 » 0
3.58 OCHEM 1 » 0
3.60 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization