Molecule ID: mol2404
SMILES: CN(C)c1ccc(C=O)cc1
InChI: InChI=1S/C9H11NO/c1-10(2)9-5-3-8(7-11)4-6-9/h3-7H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.24 | AttenGpKa training set | 1 » 0 |
| 1.60 | Datawarrior | 1 » 0 |
| 1.60 | OCHEM | 1 » 0 |
| 1.60 | QSARToolbox | 1 » 0 |
| 1.62 | OCHEM | 1 » 0 |
| 1.62 | Hunt | 1 » 0 |
| 1.65 | OCHEM | 1 » 0 |
| 1.65 | OCHEM | 1 » 0 |