Molecule ID: mol17951
SMILES: CSc1nc2c(O)c3ccccc3nc2s1
InChI: InChI=1S/C11H8N2OS2/c1-15-11-13-8-9(14)6-4-2-3-5-7(6)12-10(8)16-11/h2-5H,1H3,(H,12,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.90 | AttenGpKa training set | 1 » 0 |
| 5.90 | OCHEM | 0 » -1 |
| 5.90 | Baltruschat ChEMBL | 0 » -1 |
| 5.90 | AttenGpKa training set | 0 » -1 |
| 9.20 | AttenGpKa training set | 0 » -1 |