Molecule ID: mol5259
SMILES: CN(C)c1cccc(C(=O)O)c1
InChI: InChI=1S/C9H11NO2/c1-10(2)8-5-3-4-7(6-8)9(11)12/h3-6H,1-2H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.29 | IUPAC digitized pKa | 1 » 0 |
| 3.29 | AttenGpKa training set | 1 » 0 |
| 5.07 | AttenGpKa training set | 0 » -1 |
| 5.10 | QSARToolbox | 0 » -1 |
| 5.10 | IUPAC digitized pKa | 0 » -1 |