Molecule ID: mol21554
SMILES: Clc1ccc(-c2nc(-c3ccccc3)c[nH]2)cc1
InChI: InChI=1S/C15H11ClN2/c16-13-8-6-12(7-9-13)15-17-10-14(18-15)11-4-2-1-3-5-11/h1-10H,(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.37 | OCHEM | 1 » 0 |
| 5.37 | Baltruschat ChEMBL | 1 » 0 |