Molecule ID: mol14168

SMILES: CC(=O)Nc1ccc(N)cc1

InChI: InChI=1S/C8H10N2O/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.94 QSARToolbox 1 » 0
4.46 Datawarrior 1 » 0
4.46 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization