Molecule ID: mol26243

SMILES: CN1C(=O)NC(O)c2nccnc21

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization