Molecule ID: mol4675

SMILES: COc1cnc2ccccc2n1

InChI: InChI=1S/C9H8N2O/c1-12-9-6-10-7-4-2-3-5-8(7)11-9/h2-6H,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization