Molecule ID: mol15608
SMILES: Cc1ccccc1C(=NCCCCN(C)C)c1ccccc1C
InChI: InChI=1S/C21H28N2/c1-17-11-5-7-13-19(17)21(20-14-8-6-12-18(20)2)22-15-9-10-16-23(3)4/h5-8,11-14H,9-10,15-16H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.18 | QSARToolbox | 2 » 1 |
| 5.18 | Datawarrior | 2 » 1 |
| 8.80 | Datawarrior | 1 » 0 |
| 8.80 | OCHEM | 1 » 0 |