Molecule ID: mol30
SMILES: Cc1cnc2c(C(=O)O)c(Cl)ccc2c1
InChI: InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.96 | OCHEM | 0 » -1 |
| 3.96 | OCHEM | 0 » -1 |
| 3.96 | Hunt | 0 » -1 |
| 3.96 | Settimo | 0 » -1 |
| 3.96 | QSARToolbox | 0 » -1 |
| 3.96 | QSARToolbox | 0 » -1 |
| 4.14 | AttenGpKa training set | 0 » -1 |