Molecule ID: mol1610

SMILES: NC(=O)c1cnc(N)nc1

InChI: InChI=1S/C5H6N4O/c6-4(10)3-1-8-5(7)9-2-3/h1-2H,(H2,6,10)(H2,7,8,9)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.80 OCHEM 1 » 0
2.06 Hunt 1 » 0
2.60 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization