Molecule ID: mol26382

SMILES: Cn1c[n+](O)c2ccccc21

InChI: InChI=1S/C8H9N2O/c1-9-6-10(11)8-5-3-2-4-7(8)9/h2-6,11H,1H3/q+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization