Molecule ID: mol4982
SMILES: Nc1c2ccccc2nc2cccc(O)c12
InChI: InChI=1S/C13H10N2O/c14-13-8-4-1-2-5-9(8)15-10-6-3-7-11(16)12(10)13/h1-7,16H,(H2,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.57 | IUPAC digitized pKa | 1 » 0 |
| 5.57 | QSARToolbox | 1 » 0 |
| 5.61 | Datawarrior | 1 » 0 |
| 5.61 | OCHEM | 1 » 0 |
| 5.61 | QSARToolbox | 1 » 0 |
| 5.79 | OCHEM | 1 » 0 |
| 6.00 | QSARToolbox | 1 » 0 |
| 6.06 | AttenGpKa training set | 1 » 0 |
| 12.30 | QSARToolbox | 0 » -1 |