Molecule ID: mol25121

SMILES: Cc1cc(O)c(O)c(C(=O)NC(C)C)[n+]1C

InChI: InChI=1S/C11H16N2O3/c1-6(2)12-11(16)9-10(15)8(14)5-7(3)13(9)4/h5-6H,1-4H3,(H2,12,15,16)/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization