Molecule ID: mol28593
SMILES: O=C(NCc1ccccc1)NS(=O)(=O)c1ccccc1
InChI: InChI=1S/C14H14N2O3S/c17-14(15-11-12-7-3-1-4-8-12)16-20(18,19)13-9-5-2-6-10-13/h1-10H,11H2,(H2,15,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.66 | AttenGpKa training set | 0 » -1 |