Molecule ID: mol12794

SMILES: Cc1ccc(C2=NCCC2)cc1

InChI: InChI=1S/C11H13N/c1-9-4-6-10(7-5-9)11-3-2-8-12-11/h4-7H,2-3,8H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization