Molecule ID: mol15132

SMILES: Cc1ccc2c(c1)c1c3c(nccn32)CCC1

InChI: InChI=1S/C15H14N2/c1-10-5-6-14-12(9-10)11-3-2-4-13-15(11)17(14)8-7-16-13/h5-9H,2-4H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization