Molecule ID: mol36208
SMILES: O=C1CN=C(c2ccccc2Br)c2cc(Cl)ccc2N1
InChI: InChI=1S/C15H10BrClN2O/c16-12-4-2-1-3-10(12)15-11-7-9(17)5-6-13(11)19-14(20)8-18-15/h1-7H,8H2,(H,19,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.09 | QSARToolbox | 1 » 0 |
| 11.84 | QSARToolbox | 0 » -1 |