Molecule ID: mol13595

SMILES: CCCn1ccnc1C

InChI: InChI=1S/C7H12N2/c1-3-5-9-6-4-8-7(9)2/h4,6H,3,5H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization