Molecule ID: mol15118

SMILES: CN1CCn2c(nc3ccccc32)C1

InChI: InChI=1S/C11H13N3/c1-13-6-7-14-10-5-3-2-4-9(10)12-11(14)8-13/h2-5H,6-8H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.55 QSARToolbox 2 » 1
2.55 Datawarrior 2 » 1
2.55 OCHEM 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization