Molecule ID: mol24273

SMILES: CNC(CO)c1ccc(O)cc1

InChI: InChI=1S/C9H13NO2/c1-10-9(6-11)7-2-4-8(12)5-3-7/h2-5,9-12H,6H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization