Molecule ID: mol4022

SMILES: Cn1ccc(=O)cn1

InChI: InChI=1S/C5H6N2O/c1-7-3-2-5(8)4-6-7/h2-4H,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization