Molecule ID: mol13620

SMILES: COc1nccc(C)n1

InChI: InChI=1S/C6H8N2O/c1-5-3-4-7-6(8-5)9-2/h3-4H,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization