Molecule ID: mol13082
SMILES: NCc1ccc(F)c(O)c1
InChI: InChI=1S/C7H8FNO/c8-6-2-1-5(4-9)3-7(6)10/h1-3,10H,4,9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.00 | Datawarrior | 1 » 0 |
| 8.00 | OCHEM | 1 » 0 |
| 8.00 | QSARToolbox | 1 » 0 |
| 10.04 | Datawarrior | 0 » -1 |
| 10.04 | OCHEM | 0 » -1 |