Molecule ID: mol26287

SMILES: CCC1=Nc2cnc(O)nc2NC1(O)CC

InChI: InChI=1S/C10H14N4O2/c1-3-7-10(16,4-2)14-8-6(12-7)5-11-9(15)13-8/h5,16H,3-4H2,1-2H3,(H2,11,13,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization