Molecule ID: mol14870
SMILES: CC(=O)NCc1cc(C)cc(CNC(C)=O)c1O
InChI: InChI=1S/C13H18N2O3/c1-8-4-11(6-14-9(2)16)13(18)12(5-8)7-15-10(3)17/h4-5,18H,6-7H2,1-3H3,(H,14,16)(H,15,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.00 | Datawarrior | 0 » -1 |
| 9.00 | OCHEM | 0 » -1 |
| 9.00 | QSARToolbox | 0 » -1 |
| 9.00 | AttenGpKa training set | 0 » -1 |