Molecule ID: mol15372
SMILES: Cc1cnc2cccc([N+](=O)[O-])c2c1NCCCN(C)C
InChI: InChI=1S/C15H20N4O2/c1-11-10-17-12-6-4-7-13(19(20)21)14(12)15(11)16-8-5-9-18(2)3/h4,6-7,10H,5,8-9H2,1-3H3,(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.01 | Datawarrior | 2 » 1 |
| 6.01 | OCHEM | 2 » 1 |
| 6.01 | Baltruschat ChEMBL | 2 » 1 |
| 6.01 | OCHEM | 2 » 1 |
| 6.01 | QSARToolbox | 2 » 1 |