Molecule ID: mol6220

SMILES: CC(C)NCC(O)c1ccc(S(C)(=O)=O)cc1

InChI: InChI=1S/C12H19NO3S/c1-9(2)13-8-12(14)10-4-6-11(7-5-10)17(3,15)16/h4-7,9,12-14H,8H2,1-3H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.25 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization