Molecule ID: mol9677

SMILES: O=C1CNc2[nH]cnc(=O)c2N1

InChI: InChI=1S/C6H6N4O2/c11-3-1-7-5-4(10-3)6(12)9-2-8-5/h2H,1H2,(H,10,11)(H2,7,8,9,12)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.14 IUPAC digitized pKa -1 » -2
9.14 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization