Molecule ID: mol12806
SMILES: C[n+]1ccc2ccccc2c1S
InChI: InChI=1S/C10H9NS/c1-11-7-6-8-4-2-3-5-9(8)10(11)12/h2-7H,1H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -2.13 | OCHEM | 1 » 0 |
| -2.13 | Datawarrior | 1 » 0 |
| -2.13 | AttenGpKa training set | 1 » 0 |