Molecule ID: mol10670
SMILES: CN(C)c1cccc(O)c1
InChI: InChI=1S/C8H11NO/c1-9(2)7-4-3-5-8(10)6-7/h3-6,10H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.84 | AttenGpKa training set | 0 » -1 |
| 9.85 | IUPAC digitized pKa | 0 » -1 |
| 9.85 | Datawarrior | 0 » -1 |
| 9.85 | QSARToolbox | 0 » -1 |
| 9.85 | QSARToolbox | 0 » -1 |
| 9.85 | OCHEM | 0 » -1 |