Molecule ID: mol15647
SMILES: CN(C)CCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12
InChI: InChI=1S/C17H18N4O2/c1-20(2)11-10-18-17-12-6-3-4-7-13(12)19-14-8-5-9-15(16(14)17)21(22)23/h3-9H,10-11H2,1-2H3,(H,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.90 | Datawarrior | 2 » 1 |
| 4.90 | Baltruschat ChEMBL | 2 » 1 |
| 4.90 | QSARToolbox | 2 » 1 |
| 4.90 | OCHEM | 2 » 1 |