Molecule ID: mol17940
SMILES: CSc1nc2c(O)c3cc(C)ccc3nc2s1
InChI: InChI=1S/C12H10N2OS2/c1-6-3-4-8-7(5-6)10(15)9-11(13-8)17-12(14-9)16-2/h3-5H,1-2H3,(H,13,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.80 | AttenGpKa training set | 1 » 0 |
| 4.60 | OCHEM | 0 » -1 |
| 4.60 | Baltruschat ChEMBL | 0 » -1 |
| 4.60 | AttenGpKa training set | 0 » -1 |
| 9.90 | AttenGpKa training set | 0 » -1 |