Molecule ID: mol3341
SMILES: CCN(CC)C(COC(=O)c1ccc(N)cc1)CC(C)C
InChI: InChI=1S/C17H28N2O2/c1-5-19(6-2)16(11-13(3)4)12-21-17(20)14-7-9-15(18)10-8-14/h7-10,13,16H,5-6,11-12,18H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.58 | QSARToolbox | 2 » 1 |
| 9.40 | QSARToolbox | 1 » 0 |
| 9.40 | IUPAC digitized pKa | 1 » 0 |
| 9.40 | OCHEM | 1 » 0 |