Molecule ID: mol3311
SMILES: CC(=O)N(C)c1ccccc1
InChI: InChI=1S/C9H11NO/c1-8(11)10(2)9-6-4-3-5-7-9/h3-7H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.50 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| -0.50 | QSARToolbox | 1 » 0 |
| -0.50 | AttenGpKa training set | 1 » 0 |