Molecule ID: mol14625
SMILES: CN(C)CCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12
InChI: InChI=1S/C18H20N4O2/c1-21(2)12-6-11-19-18-13-7-3-4-8-14(13)20-15-9-5-10-16(17(15)18)22(23)24/h3-5,7-10H,6,11-12H2,1-2H3,(H,19,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.20 | OCHEM | 2 » 1 |
| 6.20 | QSARToolbox | 2 » 1 |
| 6.20 | Datawarrior | 2 » 1 |
| 6.20 | Baltruschat ChEMBL | 2 » 1 |
| 6.21 | OCHEM | 2 » 1 |
| 6.21 | Baltruschat ChEMBL | 2 » 1 |
| 6.21 | QSARToolbox | 2 » 1 |