Molecule ID: mol26366

SMILES: Oc1nccc2[n+]1CCN2

InChI: InChI=1S/C6H7N3O/c10-6-8-2-1-5-7-3-4-9(5)6/h1-2H,3-4H2,(H,7,8,10)/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization