Molecule ID: mol25124

SMILES: Cc1cc(=O)c(O)c(C(=O)NCCO)n1C

InChI: InChI=1S/C10H14N2O4/c1-6-5-7(14)9(15)8(12(6)2)10(16)11-3-4-13/h5,13,15H,3-4H2,1-2H3,(H,11,16)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization