Molecule ID: mol4605

SMILES: Nc1cccc2cncnc12

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization