Molecule ID: mol17941
SMILES: Oc1c2ccccc2nc2sc(Cl)nc12
InChI: InChI=1S/C10H5ClN2OS/c11-10-13-7-8(14)5-3-1-2-4-6(5)12-9(7)15-10/h1-4H,(H,12,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.50 | AttenGpKa training set | 1 » 0 |
| 5.90 | OCHEM | 0 » -1 |
| 5.90 | Baltruschat ChEMBL | 0 » -1 |
| 5.90 | AttenGpKa training set | 0 » -1 |
| 9.50 | AttenGpKa training set | 0 » -1 |