Molecule ID: mol25159

SMILES: Nc1ccc[n+](O)c1

InChI: InChI=1S/C5H7N2O/c6-5-2-1-3-7(8)4-5/h1-4,8H,6H2/q+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-2.10 AttenGpKa training set 2 » 1
1.47 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization