Molecule ID: mol7439

SMILES: CCn1cc(C)c(O)nc1=O

InChI: InChI=1S/C7H10N2O2/c1-3-9-4-5(2)6(10)8-7(9)11/h4H,3H2,1-2H3,(H,8,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization