Molecule ID: mol21555
SMILES: Clc1cccc(-c2nc(-c3ccccc3)c[nH]2)c1
InChI: InChI=1S/C15H11ClN2/c16-13-8-4-7-12(9-13)15-17-10-14(18-15)11-5-2-1-3-6-11/h1-10H,(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.12 | OCHEM | 1 » 0 |
| 5.12 | Baltruschat ChEMBL | 1 » 0 |