Molecule ID: mol4984
SMILES: Nc1c2ccccc2nc2cc(O)ccc12
InChI: InChI=1S/C13H10N2O/c14-13-9-3-1-2-4-11(9)15-12-7-8(16)5-6-10(12)13/h1-7,16H,(H2,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.59 | IUPAC digitized pKa | 1 » 0 |
| 6.59 | QSARToolbox | 1 » 0 |
| 6.63 | Datawarrior | 1 » 0 |
| 6.63 | OCHEM | 1 » 0 |
| 6.63 | QSARToolbox | 1 » 0 |
| 6.89 | OCHEM | 1 » 0 |
| 7.17 | AttenGpKa training set | 1 » 0 |
| 7.18 | QSARToolbox | 1 » 0 |