Molecule ID: mol2565
SMILES: CN(C)CCc1ccc(O)cc1
InChI: InChI=1S/C10H15NO/c1-11(2)8-7-9-3-5-10(12)6-4-9/h3-6,12H,7-8H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.46 | IUPAC digitized pKa | 0 » -1 |
| 9.46 | Datawarrior | 0 » -1 |
| 9.46 | OCHEM | 0 » -1 |
| 9.46 | QSARToolbox | 0 » -1 |
| 9.51 | AttenGpKa training set | 0 » -1 |
| 9.78 | IUPAC digitized pKa | 0 » -1 |
| 9.78 | OCHEM | 0 » -1 |
| 9.78 | Hunt | 0 » -1 |
| 9.80 | Datawarrior | 0 » -1 |
| 9.80 | OCHEM | 0 » -1 |
| 10.02 | IUPAC digitized pKa | 0 » -1 |
| 10.15 | AttenGpKa training set | 0 » -1 |