Molecule ID: mol13829
SMILES: Clc1c(Cl)c(Cl)c2[nH]nnc2c1Cl
InChI: InChI=1S/C6HCl4N3/c7-1-2(8)4(10)6-5(3(1)9)11-13-12-6/h(H,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.52 | Datawarrior | 0 » -1 |
| 4.52 | OCHEM | 0 » -1 |
| 5.00 | OCHEM | 0 » -1 |
| 5.24 | AttenGpKa training set | 0 » -1 |