Molecule ID: mol15762

SMILES: Oc1cc[n+](OCc2ccccc2)cc1

InChI: InChI=1S/C12H11NO2/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9H,10H2/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization