Molecule ID: mol26431

SMILES: Cc1nc2c(O)cc(N)cc2[nH]1

InChI: InChI=1S/C8H9N3O/c1-4-10-6-2-5(9)3-7(12)8(6)11-4/h2-3,12H,9H2,1H3,(H,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization