Molecule ID: mol3816

SMILES: CCCON=Cc1ccncc1

InChI: InChI=1S/C9H12N2O/c1-2-7-12-11-8-9-3-5-10-6-4-9/h3-6,8H,2,7H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization