Molecule ID: mol12957

SMILES: Cc1ccc(N)cc1CN

InChI: InChI=1S/C8H12N2/c1-6-2-3-8(10)4-7(6)5-9/h2-4H,5,9-10H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization