Molecule ID: mol29788
SMILES: Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl
InChI: InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.10 | OCHEM | 0 » -1 |
| 4.43 | AttenGpKa training set | 0 » -1 |