Molecule ID: mol2693

SMILES: CS(=O)(=O)c1ccc(C(=O)C2C(=O)C3CCC(C3)C2=O)c([N+](=O)[O-])c1

InChI: InChI=1S/C16H15NO7S/c1-25(23,24)10-4-5-11(12(7-10)17(21)22)16(20)13-14(18)8-2-3-9(6-8)15(13)19/h4-5,7-9,13H,2-3,6H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.45 Caine 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization