Molecule ID: mol28791
SMILES: Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N/c2ccccc2)cc1
InChI: InChI=1S/C20H18N2O2S/c1-16-11-13-19(14-12-16)25(23,24)22-20-10-6-5-7-17(20)15-21-18-8-3-2-4-9-18/h2-15,22H,1H3/b21-15+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.10 | AttenGpKa training set | 1 » 0 |
| 8.25 | AttenGpKa training set | 0 » -1 |