Molecule ID: mol28696
SMILES: Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1
InChI: InChI=1S/C15H14N4O2S/c16-12-6-8-14(9-7-12)22(20,21)18-15-10-11-17-19(15)13-4-2-1-3-5-13/h1-11,18H,16H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.90 | AttenGpKa training set | 1 » 0 |
| 5.91 | OCHEM | 0 » -1 |
| 6.50 | AttenGpKa training set | 0 » -1 |