Molecule ID: mol14994
SMILES: CN(C)CCCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12
InChI: InChI=1S/C20H24N4O2/c1-23(2)14-7-3-6-13-21-20-15-9-4-5-10-16(15)22-17-11-8-12-18(19(17)20)24(25)26/h4-5,8-12H,3,6-7,13-14H2,1-2H3,(H,21,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.40 | Datawarrior | 2 » 1 |
| 7.40 | Baltruschat ChEMBL | 2 » 1 |
| 7.40 | QSARToolbox | 2 » 1 |
| 7.40 | OCHEM | 2 » 1 |