Molecule ID: mol7757
SMILES: Cc1ccnc2c(S)cccc12
InChI: InChI=1S/C10H9NS/c1-7-5-6-11-10-8(7)3-2-4-9(10)12/h2-6,12H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.07 | IUPAC digitized pKa | 1 » 0 |
| 2.70 | QSARToolbox | 1 » 0 |
| 9.10 | OCHEM | 0 » -1 |
| 9.10 | OCHEM | 0 » -1 |
| 9.15 | QSARToolbox | 0 » -1 |
| 9.15 | IUPAC digitized pKa | 0 » -1 |