Molecule ID: mol4676

SMILES: COc1nc2ccccc2nc1C

InChI: InChI=1S/C10H10N2O/c1-7-10(13-2)12-9-6-4-3-5-8(9)11-7/h3-6H,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization