Molecule ID: mol4383
SMILES: CCN(CC)CCCC(C)Nc1cc(C)nc2cc(Cl)ccc12
InChI: InChI=1S/C19H28ClN3/c1-5-23(6-2)11-7-8-14(3)21-18-12-15(4)22-19-13-16(20)9-10-17(18)19/h9-10,12-14H,5-8,11H2,1-4H3,(H,21,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.52 | Datawarrior | 2 » 1 |
| 8.54 | IUPAC digitized pKa | 2 » 1 |
| 10.18 | Datawarrior | 1 » 0 |
| 10.18 | OCHEM | 1 » 0 |
| 10.18 | QSARToolbox | 1 » 0 |