Molecule ID: mol1670
SMILES: CCOc1ccc(OCC)c(N)c1
InChI: InChI=1S/C10H15NO2/c1-3-12-8-5-6-10(13-4-2)9(11)7-8/h5-7H,3-4,11H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.94 | OCHEM | 1 » 0 |
| 3.94 | Hunt | 1 » 0 |
| 3.94 | OCHEM | 1 » 0 |
| 3.94 | AttenGpKa training set | 1 » 0 |