Molecule ID: mol12005
SMILES: CN(C)c1cccc(NS(=O)(=O)c2ccc(N)cc2)c1
InChI: InChI=1S/C14H17N3O2S/c1-17(2)13-5-3-4-12(10-13)16-20(18,19)14-8-6-11(15)7-9-14/h3-10,16H,15H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.01 | IUPAC digitized pKa | 0 » -1 |
| 9.01 | AttenGpKa training set | 0 » -1 |