Molecule ID: mol13403
SMILES: Cc1cnc(-c2ccccc2)c(O)n1
InChI: InChI=1S/C11H10N2O/c1-8-7-12-10(11(14)13-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -6.00 | Datawarrior | 2 » 1 |
| 0.70 | OCHEM | 1 » 0 |
| 0.70 | Datawarrior | 1 » 0 |
| 9.30 | Datawarrior | 0 » -1 |
| 9.30 | OCHEM | 0 » -1 |