Molecule ID: mol24405
SMILES: CONC(C)(O)Oc1ccccc1
InChI: InChI=1S/C9H13NO3/c1-9(11,10-12-2)13-8-6-4-3-5-7-8/h3-7,10-11H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.00 | AttenGpKa training set | 1 » 0 |
| 4.80 | AttenGpKa training set | 1 » 0 |
| 6.40 | AttenGpKa training set | 1 » 0 |
| 11.20 | AttenGpKa training set | 0 » -1 |