Molecule ID: mol20281
SMILES: CNS(=O)(=O)c1ccc(N)cc1
InChI: InChI=1S/C7H10N2O2S/c1-9-12(10,11)7-4-2-6(8)3-5-7/h2-5,9H,8H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.20 | AttenGpKa training set | 1 » 0 |
| 10.77 | Baltruschat ChEMBL | 0 » -1 |
| 10.77 | AttenGpKa training set | 0 » -1 |