Molecule ID: mol12793

SMILES: c1ccc(CC2=NCCC2)cc1

InChI: InChI=1S/C11H13N/c1-2-5-10(6-3-1)9-11-7-4-8-12-11/h1-3,5-6H,4,7-9H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization