Molecule ID: mol35446

SMILES: CCCNc1ccc(C2(c3ccc(NCCC)cc3)OS(=O)(=O)c3ccccc32)cc1

InChI: InChI=1S/C25H28N2O3S/c1-3-17-26-21-13-9-19(10-14-21)25(20-11-15-22(16-12-20)27-18-4-2)23-7-5-6-8-24(23)31(28,29)30-25/h5-16,26-27H,3-4,17-18H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization