Molecule ID: mol15079
SMILES: Cc1nc2cccc([N+](=O)[O-])c2c(NCCCN(C)C)c1C
InChI: InChI=1S/C16H22N4O2/c1-11-12(2)18-13-7-5-8-14(20(21)22)15(13)16(11)17-9-6-10-19(3)4/h5,7-8H,6,9-10H2,1-4H3,(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.64 | QSARToolbox | 2 » 1 |
| 6.64 | OCHEM | 2 » 1 |
| 6.64 | Datawarrior | 2 » 1 |