Molecule ID: mol2155
SMILES: Oc1c(C(F)(F)F)ccc2cccnc12
InChI: InChI=1S/C10H6F3NO/c11-10(12,13)7-4-3-6-2-1-5-14-8(6)9(7)15/h1-5,15H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.40 | IUPAC digitized pKa | 1 » 0 |
| 2.40 | OCHEM | 1 » 0 |
| 2.40 | QSARToolbox | 1 » 0 |
| 9.08 | IUPAC digitized pKa | 0 » -1 |
| 9.08 | Hunt | 0 » -1 |
| 9.10 | OCHEM | 0 » -1 |
| 9.80 | QSARToolbox | 0 » -1 |