Molecule ID: mol3085
SMILES: CN(C)P(=O)(N(C)C)N(C)C
InChI: InChI=1S/C6H18N3OP/c1-7(2)11(10,8(3)4)9(5)6/h1-6H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -5.50 | AttenGpKa training set | 3 » 2 |
| -0.97 | AttenGpKa training set | 2 » 1 |
| 1.60 | QSARToolbox | 1 » 0 |