Molecule ID: mol7335

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

InChI: InChI=1S/C6H8N2O2/c1-4-3-5(2)8(10)6(9)7-4/h3,10H,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.85 IUPAC digitized pKa 1 » 0
6.10 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization