Molecule ID: mol14022

SMILES: CC1ONCc2ccccc21

InChI: InChI=1S/C9H11NO/c1-7-9-5-3-2-4-8(9)6-10-11-7/h2-5,7,10H,6H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization