Molecule ID: mol5081
SMILES: Clc1ccnc2c1ccc1c(Cl)ccnc12
InChI: InChI=1S/C12H6Cl2N2/c13-9-3-5-15-11-7(9)1-2-8-10(14)4-6-16-12(8)11/h1-6H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.01 | IUPAC digitized pKa | 1 » 0 |
| 3.03 | QSARToolbox | 1 » 0 |
| 3.03 | Datawarrior | 1 » 0 |
| 3.03 | OCHEM | 1 » 0 |
| 3.03 | AttenGpKa training set | 1 » 0 |