Molecule ID: mol5082
SMILES: Clc1c(Cl)c2cccnc2c2ncccc12
InChI: InChI=1S/C12H6Cl2N2/c13-9-7-3-1-5-15-11(7)12-8(10(9)14)4-2-6-16-12/h1-6H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.45 | IUPAC digitized pKa | 1 » 0 |
| 3.47 | AttenGpKa training set | 1 » 0 |
| 3.47 | QSARToolbox | 1 » 0 |