Molecule ID: mol16613
SMILES: Clc1cc2nc(-c3ccncc3)[nH]c2cc1Cl
InChI: InChI=1S/C12H7Cl2N3/c13-8-5-10-11(6-9(8)14)17-12(16-10)7-1-3-15-4-2-7/h1-6H,(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.00 | Baltruschat ChEMBL | 2 » 1 |
| 9.33 | Baltruschat ChEMBL | 0 » -1 |