Molecule ID: mol14020

SMILES: c1ccc(-c2ccco2)nc1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization