Molecule ID: mol19259
SMILES: CC(C(=O)O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12
InChI: InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.45 | QSARToolbox | 0 » -1 |
| 4.45 | QSARToolbox | 0 » -1 |
| 4.54 | AttenGpKa training set | 0 » -1 |
| 4.70 | OCHEM | 0 » -1 |
| 4.70 | Baltruschat ChEMBL | 0 » -1 |