Molecule ID: mol5254
SMILES: CN(C)c1ccccc1C(=O)O
InChI: InChI=1S/C9H11NO2/c1-10(2)8-6-4-3-5-7(8)9(11)12/h3-6H,1-2H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.40 | QSARToolbox | 1 » 0 |
| 1.40 | IUPAC digitized pKa | 1 » 0 |
| 1.40 | Datawarrior | 1 » 0 |
| 1.40 | OCHEM | 1 » 0 |
| 1.54 | AttenGpKa training set | 1 » 0 |
| 8.42 | QSARToolbox | 0 » -1 |
| 8.42 | QSARToolbox | 0 » -1 |
| 8.46 | Datawarrior | 0 » -1 |
| 8.46 | OCHEM | 0 » -1 |
| 8.49 | IUPAC digitized pKa | 0 » -1 |
| 8.51 | IUPAC digitized pKa | 0 » -1 |
| 8.53 | AttenGpKa training set | 0 » -1 |