Molecule ID: mol4504
SMILES: Cc1ccc2nc(C)[nH]c2c1
InChI: InChI=1S/C9H10N2/c1-6-3-4-8-9(5-6)11-7(2)10-8/h3-5H,1-2H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.00 | IUPAC digitized pKa | 1 » 0 |
| 6.47 | AttenGpKa training set | 1 » 0 |
| 11.20 | IUPAC digitized pKa | 0 » -1 |