Molecule ID: mol24290

SMILES: CNC(CO)c1ccc(O)c(O)c1

InChI: InChI=1S/C9H13NO3/c1-10-7(5-11)6-2-3-8(12)9(13)4-6/h2-4,7,10-13H,5H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization