Molecule ID: mol25189

SMILES: CNc1cc[n+](O)c2ccccc12

InChI: InChI=1S/C10H10N2O/c1-11-9-6-7-12(13)10-5-3-2-4-8(9)10/h2-7,13H,1H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization