Molecule ID: mol12777

SMILES: CN1CC=CC1c1cccnc1

InChI: InChI=1S/C10H12N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2-6,8,10H,7H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.96 QSARToolbox 1 » 0
7.04 Datawarrior 1 » 0
7.04 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization