Molecule ID: mol24679

SMILES: Cc1ccc(OS(=O)(=O)CC23CCN(CC2)CC3)cc1

InChI: InChI=1S/C15H21NO3S/c1-13-2-4-14(5-3-13)19-20(17,18)12-15-6-9-16(10-7-15)11-8-15/h2-5H,6-12H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization