Molecule ID: mol25787

SMILES: CNc1nc(C)c(C)nc1C(=O)O

InChI: InChI=1S/C8H11N3O2/c1-4-5(2)11-7(9-3)6(10-4)8(12)13/h1-3H3,(H,9,11)(H,12,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization