Molecule ID: mol31201
SMILES: CONC(O)c1ccc(Cl)cc1
InChI: InChI=1S/C8H10ClNO2/c1-12-10-8(11)6-2-4-7(9)5-3-6/h2-5,8,10-11H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.00 | AttenGpKa training set | 1 » 0 |
| 7.30 | AttenGpKa training set | 1 » 0 |
| 8.50 | AttenGpKa training set | 1 » 0 |
| 13.80 | AttenGpKa training set | 0 » -1 |