Molecule ID: mol12656
SMILES: Cc1cccc(C(=O)N(C)O)c1
InChI: InChI=1S/C9H11NO2/c1-7-4-3-5-8(6-7)9(11)10(2)12/h3-6,12H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.52 | Datawarrior | 0 » -1 |
| 8.52 | AttenGpKa training set | 0 » -1 |
| 8.52 | QSARToolbox | 0 » -1 |
| 8.52 | OCHEM | 0 » -1 |