Molecule ID: mol29898
SMILES: NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl
InChI: InChI=1S/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14/h1-7,19H,(H,17,18)(H2,16,20,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.98 | AttenGpKa training set | -1 » -2 |
| 9.36 | OCHEM | -1 » -2 |
| 9.36 | OCHEM | -1 » -2 |
| 10.82 | AttenGpKa training set | -2 » -3 |