Molecule ID: mol14003

SMILES: COc1nc2ccccc2[nH]1

InChI: InChI=1S/C8H8N2O/c1-11-8-9-6-4-2-3-5-7(6)10-8/h2-5H,1H3,(H,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization