Molecule ID: mol14176

SMILES: COc1ccc(N)cc1CN

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization