Molecule ID: mol13399
SMILES: Cc1nn(-c2ccccc2)c(O)c1C
InChI: InChI=1S/C11H12N2O/c1-8-9(2)12-13(11(8)14)10-6-4-3-5-7-10/h3-7,14H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.39 | AttenGpKa training set | 1 » 0 |
| 7.38 | AttenGpKa training set | 0 » -1 |
| 11.30 | Datawarrior | 0 » -1 |
| 11.30 | OCHEM | 0 » -1 |