Molecule ID: mol25687

SMILES: C[n+]1cccnc1O

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization