Molecule ID: mol233
SMILES: NCCSc1ccccc1
InChI: InChI=1S/C8H11NS/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7,9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.00 | OCHEM | 1 » 0 |
| 9.00 | AvLiLuMoVe | 1 » 0 |
| 9.00 | Settimo | 1 » 0 |
| 9.00 | AttenGpKa training set | 1 » 0 |