Molecule ID: mol245
SMILES: CN(C)CCNC(=O)c1ccccc1
InChI: InChI=1S/C11H16N2O/c1-13(2)9-8-12-11(14)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,12,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.50 | OCHEM | 1 » 0 |
| 8.50 | AvLiLuMoVe | 1 » 0 |
| 8.50 | Settimo | 1 » 0 |
| 8.50 | AttenGpKa training set | 1 » 0 |