Molecule ID: mol14013

SMILES: c1cncc(-c2ccoc2)c1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization