Molecule ID: mol13180

SMILES: c1cnc2c(c1)CCCC2

InChI: InChI=1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h3,5,7H,1-2,4,6H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization