Molecule ID: mol35832

SMILES: CCNc1ccc(C2(c3ccc(NCC)cc3)OS(=O)(=O)c3ccccc32)cc1

InChI: InChI=1S/C23H24N2O3S/c1-3-24-19-13-9-17(10-14-19)23(18-11-15-20(16-12-18)25-4-2)21-7-5-6-8-22(21)29(26,27)28-23/h5-16,24-25H,3-4H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.73 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization