Molecule ID: mol14005

SMILES: c1ccc(C2=NCCC2)cc1

InChI: InChI=1S/C10H11N/c1-2-5-9(6-3-1)10-7-4-8-11-10/h1-3,5-6H,4,7-8H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization