Molecule ID: mol16612
SMILES: Clc1ccc2[nH]c(-c3ccncc3)nc2c1
InChI: InChI=1S/C12H8ClN3/c13-9-1-2-10-11(7-9)16-12(15-10)8-3-5-14-6-4-8/h1-7H,(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.50 | Baltruschat ChEMBL | 2 » 1 |
| 10.00 | Baltruschat ChEMBL | 0 » -1 |