Molecule ID: mol25339

SMILES: Cc1cc(C)n(C(=O)O)n1

InChI: InChI=1S/C6H8N2O2/c1-4-3-5(2)8(7-4)6(9)10/h3H,1-2H3,(H,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization