Molecule ID: mol4519
SMILES: Cn1c(CO)nc2ccccc21
InChI: InChI=1S/C9H10N2O/c1-11-8-5-3-2-4-7(8)10-9(11)6-12/h2-5,12H,6H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.55 | IUPAC digitized pKa | 1 » 0 |
| 5.55 | OCHEM | 1 » 0 |
| 5.55 | AttenGpKa training set | 1 » 0 |
| 11.45 | IUPAC digitized pKa | 0 » -1 |
| 11.45 | AttenGpKa training set | 0 » -1 |