Molecule ID: mol17937
SMILES: CS(=O)(=O)c1nc2c(O)c3ccccc3nc2s1
InChI: InChI=1S/C11H8N2O3S2/c1-18(15,16)11-13-8-9(14)6-4-2-3-5-7(6)12-10(8)17-11/h2-5H,1H3,(H,12,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.50 | AttenGpKa training set | 1 » 0 |
| 5.20 | OCHEM | 0 » -1 |
| 5.20 | Baltruschat ChEMBL | 0 » -1 |
| 5.20 | AttenGpKa training set | 0 » -1 |
| 7.60 | AttenGpKa training set | 0 » -1 |