Molecule ID: mol11073
SMILES: CN(C)Cc1ccccc1O
InChI: InChI=1S/C9H13NO/c1-10(2)7-8-5-3-4-6-9(8)11/h3-6,11H,7H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.45 | QSARToolbox | 1 » 0 |
| 8.51 | QSARToolbox | 1 » 0 |
| 8.53 | AttenGpKa training set | 1 » 0 |
| 8.53 | QSARToolbox | 1 » 0 |
| 8.53 | IUPAC digitized pKa | 1 » 0 |
| 8.60 | Datawarrior | 1 » 0 |
| 8.60 | OCHEM | 1 » 0 |
| 8.62 | QSARToolbox | 1 » 0 |
| 8.62 | IUPAC digitized pKa | 1 » 0 |
| 10.72 | QSARToolbox | 0 » -1 |
| 10.87 | QSARToolbox | 0 » -1 |
| 10.90 | QSARToolbox | 0 » -1 |
| 10.96 | Datawarrior | 0 » -1 |
| 10.96 | OCHEM | 0 » -1 |
| 11.06 | AttenGpKa training set | 0 » -1 |
| 11.10 | QSARToolbox | 0 » -1 |