Molecule ID: mol14177

SMILES: COc1ccc(CN)cc1N

InChI: InChI=1S/C8H12N2O/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4H,5,9-10H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization