Molecule ID: mol3712

SMILES: COc1cccnc1C=O

InChI: InChI=1S/C7H7NO2/c1-10-7-3-2-4-8-6(7)5-9/h2-5H,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization