Molecule ID: mol1593

SMILES: COC(=O)c1cccnc1N

InChI: InChI=1S/C7H8N2O2/c1-11-7(10)5-3-2-4-9-6(5)8/h2-4H,1H3,(H2,8,9)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization