Molecule ID: mol4438
SMILES: Sc1cccc2cccnc12
InChI: InChI=1S/C9H7NS/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.00 | IUPAC digitized pKa | 1 » 0 |
| 2.01 | IUPAC digitized pKa | 1 » 0 |
| 2.02 | IUPAC digitized pKa | 1 » 0 |
| 2.05 | QSARToolbox | 1 » 0 |
| 2.05 | Datawarrior | 1 » 0 |
| 2.05 | OCHEM | 1 » 0 |
| 2.05 | AttenGpKa training set | 1 » 0 |
| 2.10 | QSARToolbox | 1 » 0 |
| 2.11 | IUPAC digitized pKa | 1 » 0 |
| 2.16 | IUPAC digitized pKa | 1 » 0 |
| 2.16 | QSARToolbox | 1 » 0 |
| 2.20 | QSARToolbox | 1 » 0 |
| 8.29 | QSARToolbox | 0 » -1 |
| 8.29 | Datawarrior | 0 » -1 |
| 8.29 | OCHEM | 0 » -1 |
| 8.29 | AttenGpKa training set | 0 » -1 |
| 8.33 | QSARToolbox | 0 » -1 |
| 8.33 | IUPAC digitized pKa | 0 » -1 |
| 8.33 | OCHEM | 0 » -1 |
| 8.33 | OCHEM | 0 » -1 |
| 8.38 | IUPAC digitized pKa | 0 » -1 |
| 8.38 | QSARToolbox | 0 » -1 |
| 8.40 | IUPAC digitized pKa | 0 » -1 |
| 8.45 | IUPAC digitized pKa | 0 » -1 |
| 8.48 | QSARToolbox | 0 » -1 |
| 8.48 | IUPAC digitized pKa | 0 » -1 |