Molecule ID: mol9679

SMILES: O=C1Nc2nccnc2C(O)N1

InChI: InChI=1S/C6H6N4O2/c11-5-3-4(8-2-1-7-3)9-6(12)10-5/h1-2,5,11H,(H2,8,9,10,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization