Molecule ID: mol25129

SMILES: COCCNC(=O)c1c(O)c(O)cc(C)[n+]1C

InChI: InChI=1S/C11H16N2O4/c1-7-6-8(14)10(15)9(13(7)2)11(16)12-4-5-17-3/h6H,4-5H2,1-3H3,(H2,12,15,16)/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization