Molecule ID: mol4384
SMILES: CCN(CC)CCCC(C)Nc1c(C)cnc2cc(Cl)ccc12
InChI: InChI=1S/C19H28ClN3/c1-5-23(6-2)11-7-8-15(4)22-19-14(3)13-21-18-12-16(20)9-10-17(18)19/h9-10,12-13,15H,5-8,11H2,1-4H3,(H,21,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.28 | IUPAC digitized pKa | 2 » 1 |
| 7.29 | QSARToolbox | 2 » 1 |