Molecule ID: mol1589

SMILES: CCOC(=O)c1cccnc1N

InChI: InChI=1S/C8H10N2O2/c1-2-12-8(11)6-4-3-5-10-7(6)9/h3-5H,2H2,1H3,(H2,9,10)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.73 IUPAC digitized pKa 1 » 0
4.73 Hunt 1 » 0
4.73 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization