Molecule ID: mol31505

SMILES: C[n+]1ccc(/C=N/O)[nH]1

InChI: InChI=1S/C5H7N3O/c1-8-3-2-5(7-8)4-6-9/h2-4H,1H3,(H,7,9)/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization