Molecule ID: mol15809
SMILES: Cc1nccc2c1[nH]c1cc(O)ccc12
InChI: InChI=1S/C12H10N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-6,14-15H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.23 | QSARToolbox | 1 » 0 |
| 7.23 | QSARToolbox | 1 » 0 |
| 7.23 | QSARToolbox | 1 » 0 |
| 7.39 | OCHEM | 1 » 0 |
| 7.39 | Datawarrior | 1 » 0 |
| 7.90 | QSARToolbox | 1 » 0 |
| 8.00 | AttenGpKa training set | 1 » 0 |
| 8.20 | AttenGpKa training set | 1 » 0 |
| 9.10 | AttenGpKa training set | 1 » 0 |
| 9.40 | AttenGpKa training set | 1 » 0 |
| 9.47 | Datawarrior | 1 » 0 |
| 9.47 | QSARToolbox | 1 » 0 |
| 9.47 | OCHEM | 1 » 0 |