Molecule ID: mol15386
SMILES: CN(C)c1cccc2c(S(=O)(=O)NCC(=O)O)cccc12
InChI: InChI=1S/C14H16N2O4S/c1-16(2)12-7-3-6-11-10(12)5-4-8-13(11)21(19,20)15-9-14(17)18/h3-8,15H,9H2,1-2H3,(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.40 | Datawarrior | 0 » -1 |
| 4.40 | OCHEM | 0 » -1 |
| 11.70 | QSARToolbox | -1 » -2 |
| 11.70 | Datawarrior | -1 » -2 |