Molecule ID: mol14014

SMILES: c1cncc(-c2ccco2)c1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization