Molecule ID: mol17948
SMILES: CSc1nc2c(O)c3cc(F)ccc3nc2s1
InChI: InChI=1S/C11H7FN2OS2/c1-16-11-14-8-9(15)6-4-5(12)2-3-7(6)13-10(8)17-11/h2-4H,1H3,(H,13,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.50 | AttenGpKa training set | 1 » 0 |
| 5.70 | OCHEM | 0 » -1 |
| 5.70 | Baltruschat ChEMBL | 0 » -1 |
| 5.70 | AttenGpKa training set | 0 » -1 |
| 10.50 | AttenGpKa training set | 0 » -1 |