Molecule ID: mol31653
SMILES: C[n+]1cccc(OCCCOc2ccc[n+](C)c2/C=N/O)c1/C=N/O
InChI: InChI=1S/C17H20N4O4/c1-20-8-3-6-16(14(20)12-18-22)24-10-5-11-25-17-7-4-9-21(2)15(17)13-19-23/h3-4,6-9,12-13H,5,10-11H2,1-2H3/p+2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.33 | QSARToolbox | 1 » 0 |
| 7.33 | AttenGpKa training set | 1 » 0 |
| 9.02 | QSARToolbox | 1 » 0 |