Molecule ID: mol21705
SMILES: O=C(Nc1ccc(Cl)cc1)c1ccccc1O
InChI: InChI=1S/C13H10ClNO2/c14-9-5-7-10(8-6-9)15-13(17)11-3-1-2-4-12(11)16/h1-8,16H,(H,15,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.30 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 7.30 | OCHEM | 0 » -1 |
| 7.30 | OCHEM | 0 » -1 |
| 7.30 | OCHEM | 0 » -1 |
| 7.30 | OCHEM | 0 » -1 |
| 7.30 | OCHEM | 0 » -1 |
| 7.30 | OCHEM | 0 » -1 |
| 7.30 | QSARToolbox | 0 » -1 |