Molecule ID: mol2690

SMILES: CC1(C)C(=O)C(C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C(=O)C(C)(C)C1=O

InChI: InChI=1S/C18H19NO8S/c1-17(2)14(21)12(15(22)18(3,4)16(17)23)13(20)10-7-6-9(28(5,26)27)8-11(10)19(24)25/h6-8,12H,1-5H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization