Molecule ID: mol14019

SMILES: c1ccc(-c2ccoc2)nc1

InChI: InChI=1S/C9H7NO/c1-2-5-10-9(3-1)8-4-6-11-7-8/h1-7H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization