Molecule ID: mol4665

SMILES: Nc1cccc2nccnc12

InChI: InChI=1S/C8H7N3/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-5H,9H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization