Molecule ID: mol3195
SMILES: CN(C)CCC(C(=N)Nc1ccccc1)c1ccccc1
InChI: InChI=1S/C18H23N3/c1-21(2)14-13-17(15-9-5-3-6-10-15)18(19)20-16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3,(H2,19,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.13 | IUPAC digitized pKa | 2 » 1 |
| 7.13 | OCHEM | 2 » 1 |
| 7.13 | QSARToolbox | 2 » 1 |
| 8.99 | QSARToolbox | 2 » 1 |
| 8.99 | IUPAC digitized pKa | 1 » 0 |
| 8.99 | OCHEM | 2 » 1 |