Molecule ID: mol26242

SMILES: CC1Nc2c(O)ncnc2N=C1O

InChI: InChI=1S/C7H8N4O2/c1-3-6(12)11-5-4(10-3)7(13)9-2-8-5/h2-3,10H,1H3,(H2,8,9,11,12,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization