Molecule ID: mol12998

SMILES: CCCn1ccnc1C=O

InChI: InChI=1S/C7H10N2O/c1-2-4-9-5-3-8-7(9)6-10/h3,5-6H,2,4H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization