Molecule ID: mol25750

SMILES: COCc1cnc(C)nc1N

InChI: InChI=1S/C7H11N3O/c1-5-9-3-6(4-11-2)7(8)10-5/h3H,4H2,1-2H3,(H2,8,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization