Molecule ID: mol2063
SMILES: COc1cc(N)cc(Cl)c1
InChI: InChI=1S/C7H8ClNO/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,9H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.10 | QSARToolbox | 1 » 0 |
| 3.10 | IUPAC digitized pKa | 1 » 0 |
| 3.10 | Hunt | 1 » 0 |
| 3.10 | OCHEM | 1 » 0 |
| 3.10 | AttenGpKa training set | 1 » 0 |