Molecule ID: mol12657
SMILES: Cc1ccc(C(=O)N(C)O)cc1
InChI: InChI=1S/C9H11NO2/c1-7-3-5-8(6-4-7)9(11)10(2)12/h3-6,12H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.46 | AttenGpKa training set | 0 » -1 |
| 8.50 | Datawarrior | 0 » -1 |
| 8.50 | OCHEM | 0 » -1 |
| 8.50 | QSARToolbox | 0 » -1 |
| 8.50 | QSARToolbox | 0 » -1 |