Molecule ID: mol5043

SMILES: c1ccc2c(c1)nnc1ccccc12

InChI: InChI=1S/C12H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)14-13-11/h1-8H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization