Molecule ID: mol11925
SMILES: COc1cccc(NS(=O)(=O)c2ccc(N)cc2)c1
InChI: InChI=1S/C13H14N2O3S/c1-18-12-4-2-3-11(9-12)15-19(16,17)13-7-5-10(14)6-8-13/h2-9,15H,14H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.72 | IUPAC digitized pKa | 0 » -1 |
| 8.72 | AttenGpKa training set | 0 » -1 |