Molecule ID: mol15133

SMILES: Cc1ccc2c(c1)c1c3n2CCN=C3CCC1

InChI: InChI=1S/C15H16N2/c1-10-5-6-14-12(9-10)11-3-2-4-13-15(11)17(14)8-7-16-13/h5-6,9H,2-4,7-8H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization