Molecule ID: mol14140

SMILES: Cc1cc(C)c(CN)cc1N

InChI: InChI=1S/C9H14N2/c1-6-3-7(2)9(11)4-8(6)5-10/h3-4H,5,10-11H2,1-2H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.57 Datawarrior 2 » 1
9.77 Datawarrior 1 » 0
9.77 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization