Molecule ID: mol24302

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

InChI: InChI=1S/C10H15NO3/c1-11-8(6-12)7-3-4-9(13)10(5-7)14-2/h3-5,8,11-13H,6H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization