Molecule ID: mol19469
SMILES: N#CCc1ccc(O)c2ncccc12
InChI: InChI=1S/C11H8N2O/c12-6-5-8-3-4-10(14)11-9(8)2-1-7-13-11/h1-4,7,14H,5H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.00 | Baltruschat ChEMBL | 1 » 0 |
| 4.30 | Baltruschat ChEMBL | 1 » 0 |
| 9.25 | Baltruschat ChEMBL | 0 » -1 |