Molecule ID: mol4633
SMILES: COc1ncc2ccccc2n1
InChI: InChI=1S/C9H8N2O/c1-12-9-10-6-7-4-2-3-5-8(7)11-9/h2-6H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.31 | OCHEM | 1 » 0 |
| 1.31 | QSARToolbox | 1 » 0 |
| 1.31 | QSARToolbox | 1 » 0 |
| 1.31 | IUPAC digitized pKa | 1 » 0 |
| 1.31 | Datawarrior | 1 » 0 |
| 1.31 | AttenGpKa training set | 1 » 0 |
| 1.46 | OCHEM | 1 » 0 |
| 1.60 | QSARToolbox | 1 » 0 |