Molecule ID: mol8489
SMILES: NC(Cc1c(F)c(F)c(F)c(F)c1F)C(=O)O
InChI: InChI=1S/C9H6F5NO2/c10-4-2(1-3(15)9(16)17)5(11)7(13)8(14)6(4)12/h3H,1,15H2,(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.88 | IUPAC digitized pKa | 1 » 0 |
| 2.20 | AttenGpKa training set | 1 » 0 |
| 8.47 | IUPAC digitized pKa | 0 » -1 |
| 9.20 | AttenGpKa training set | 0 » -1 |