Molecule ID: mol2157
SMILES: Oc1nncc2ccccc12
InChI: InChI=1S/C8H6N2O/c11-8-7-4-2-1-3-6(7)5-9-10-8/h1-5H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -2.00 | Datawarrior | 1 » 0 |
| -2.00 | OCHEM | 1 » 0 |
| -2.00 | AttenGpKa training set | 1 » 0 |
| 11.99 | IUPAC digitized pKa | 0 » -1 |
| 11.99 | Datawarrior | 0 » -1 |
| 11.99 | OCHEM | 0 » -1 |
| 11.99 | Hunt | 0 » -1 |
| 11.99 | AttenGpKa training set | 0 » -1 |