Molecule ID: mol21777
SMILES: O=C(O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1
InChI: InChI=1S/C17H13ClN2O2/c18-14-8-6-12(7-9-14)17-13(10-16(21)22)11-20(19-17)15-4-2-1-3-5-15/h1-9,11H,10H2,(H,21,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.30 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.30 | OCHEM | 0 » -1 |
| 4.30 | OCHEM | 0 » -1 |
| 4.30 | OCHEM | 0 » -1 |
| 4.30 | OCHEM | 0 » -1 |
| 4.30 | OCHEM | 0 » -1 |