Molecule ID: mol12390

SMILES: C[n+]1ccc(O)nc1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization