Molecule ID: mol2468
SMILES: Oc1cc(C(F)(F)F)cc2cccnc12
InChI: InChI=1S/C10H6F3NO/c11-10(12,13)7-4-6-2-1-3-14-9(6)8(15)5-7/h1-5,15H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.10 | QSARToolbox | 1 » 0 |
| 2.60 | QSARToolbox | 1 » 0 |
| 2.60 | IUPAC digitized pKa | 1 » 0 |
| 10.10 | IUPAC digitized pKa | 0 » -1 |
| 10.10 | Hunt | 0 » -1 |