Molecule ID: mol25123

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

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization