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
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.56 | Caine | 0 » -1 |