Molecule ID: mol3190
SMILES: CCN(CC)CCC(C(=N)Nc1ccccc1)c1ccccc1
InChI: InChI=1S/C20H27N3/c1-3-23(4-2)16-15-19(17-11-7-5-8-12-17)20(21)22-18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3,(H2,21,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.18 | QSARToolbox | 2 » 1 |
| 7.18 | IUPAC digitized pKa | 2 » 1 |
| 7.18 | OCHEM | 2 » 1 |
| 9.68 | IUPAC digitized pKa | 1 » 0 |
| 9.68 | OCHEM | 1 » 0 |
| 9.68 | QSARToolbox | 1 » 0 |