Molecule ID: mol12784

SMILES: CC(=O)n1cnc2ccccc21

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization