Molecule ID: mol26303

SMILES: CCOC(=O)Cc1nc2c(O)ncnc2nc1O

InChI: InChI=1S/C10H10N4O4/c1-2-18-6(15)3-5-9(16)14-8-7(13-5)10(17)12-4-11-8/h4H,2-3H2,1H3,(H2,11,12,14,16,17)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization