Molecule ID: mol4400
SMILES: CCN(CC)CCCC(C)Nc1ccnc2ccc(OC)cc12
InChI: InChI=1S/C19H29N3O/c1-5-22(6-2)13-7-8-15(3)21-19-11-12-20-18-10-9-16(23-4)14-17(18)19/h9-12,14-15H,5-8,13H2,1-4H3,(H,20,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.73 | QSARToolbox | 2 » 1 |
| 8.73 | IUPAC digitized pKa | 2 » 1 |
| 10.20 | OCHEM | 1 » 0 |