Molecule ID: mol6775

SMILES: CCOC(=O)NCc1nccnc1N

InChI: InChI=1S/C8H12N4O2/c1-2-14-8(13)12-5-6-7(9)11-4-3-10-6/h3-4H,2,5H2,1H3,(H2,9,11)(H,12,13)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.80 IUPAC digitized pKa 1 » 0
2.80 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization