Molecule ID: mol3812

SMILES: CCCON=Cc1ccccn1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization