Molecule ID: mol25091

SMILES: CCc1c(O)c(O)cc[n+]1CC

InChI: InChI=1S/C9H13NO2/c1-3-7-9(12)8(11)5-6-10(7)4-2/h5-6,12H,3-4H2,1-2H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization