Molecule ID: mol12999

SMILES: CCCn1ccnc1CO

InChI: InChI=1S/C7H12N2O/c1-2-4-9-5-3-8-7(9)6-10/h3,5,10H,2,4,6H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization