Molecule ID: mol20549
SMILES: N#CSc1cc(C(=O)O)ccc1N
InChI: InChI=1S/C8H6N2O2S/c9-4-13-7-3-5(8(11)12)1-2-6(7)10/h1-3H,10H2,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.52 | OCHEM | 0 » -1 |
| 4.52 | Baltruschat ChEMBL | 0 » -1 |
| 4.52 | AttenGpKa training set | 0 » -1 |