Molecule ID: mol8383

SMILES: c1ccc2nc3c(cc2c1)CCCC3

InChI: InChI=1S/C13H13N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1,3,5,7,9H,2,4,6,8H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization