Molecule ID: mol31664
SMILES: Cc1cccc(C)c1NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1O
InChI: InChI=1S/C15H15ClN2O4S/c1-8-4-3-5-9(2)14(8)18-15(20)10-6-13(23(17,21)22)11(16)7-12(10)19/h3-7,19H,1-2H3,(H,18,20)(H2,17,21,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.58 | OCHEM | 0 » -1 |
| 10.47 | OCHEM | -1 » -2 |