Molecule ID: mol1691
SMILES: CC(C)Sc1ccc(N)cc1
InChI: InChI=1S/C9H13NS/c1-7(2)11-9-5-3-8(10)4-6-9/h3-7H,10H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.89 | IUPAC digitized pKa | 1 » 0 |
| 3.89 | Hunt | 1 » 0 |
| 3.89 | OCHEM | 1 » 0 |
| 3.89 | QSARToolbox | 1 » 0 |