Molecule ID: mol13044
SMILES: N#Cc1ccc(O)c(O)c1
InChI: InChI=1S/C7H5NO2/c8-4-5-1-2-6(9)7(10)3-5/h1-3,9-10H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.72 | QSARToolbox | 0 » -1 |
| 7.72 | QSARToolbox | 0 » -1 |
| 7.72 | OCHEM | 0 » -1 |
| 7.72 | Datawarrior | 0 » -1 |
| 7.72 | AttenGpKa training set | 0 » -1 |