Molecule ID: mol94
SMILES: CCCOC(=O)NCCCN(C)C
InChI: InChI=1S/C9H20N2O2/c1-4-8-13-9(12)10-6-5-7-11(2)3/h4-8H2,1-3H3,(H,10,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.29 | AttenGpKa training set | 1 » 0 |
| 9.48 | QSARToolbox | 1 » 0 |
| 9.48 | OCHEM | 1 » 0 |
| 9.48 | AvLiLuMoVe | 1 » 0 |
| 9.48 | Settimo | 1 » 0 |