Molecule ID: mol4985
SMILES: Nc1c2ccccc2nc2c(O)cccc12
InChI: InChI=1S/C13H10N2O/c14-12-8-4-1-2-6-10(8)15-13-9(12)5-3-7-11(13)16/h1-7,16H,(H2,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.01 | IUPAC digitized pKa | 1 » 0 |
| 7.05 | Datawarrior | 1 » 0 |
| 7.05 | QSARToolbox | 1 » 0 |
| 7.05 | OCHEM | 1 » 0 |
| 7.10 | QSARToolbox | 1 » 0 |
| 7.68 | AttenGpKa training set | 1 » 0 |
| 7.79 | QSARToolbox | 1 » 0 |