Molecule ID: mol12006
SMILES: CN(C)c1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1
InChI: InChI=1S/C14H17N3O2S/c1-17(2)13-7-5-12(6-8-13)16-20(18,19)14-9-3-11(15)4-10-14/h3-10,16H,15H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.46 | IUPAC digitized pKa | 0 » -1 |
| 9.46 | AttenGpKa training set | 0 » -1 |