Molecule ID: mol26197

SMILES: C[n+]1cnc2c(O)cccc2c1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization