Molecule ID: mol15739
SMILES: CN(C)CCc1c[nH]c2ccc(O)cc12
InChI: InChI=1S/C12H16N2O/c1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12/h3-4,7-8,13,15H,5-6H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.73 | Datawarrior | 0 » -1 |
| 9.80 | AttenGpKa training set | 0 » -1 |
| 9.80 | QSARToolbox | 0 » -1 |
| 11.20 | QSARToolbox | 0 » -1 |
| 11.20 | Datawarrior | 0 » -1 |
| 11.20 | AttenGpKa training set | 0 » -1 |