Molecule ID: mol26257

SMILES: Nc1nc(O)c2c(n1)NC(O)C(O)=N2

InChI: InChI=1S/C6H7N5O3/c7-6-10-2-1(3(12)11-6)8-4(13)5(14)9-2/h5,14H,(H,8,13)(H4,7,9,10,11,12)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.65 AttenGpKa training set 0 » -1
9.99 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization