Molecule ID: mol18079
SMILES: Cc1ccc2c(NCCCN(C)C)ccnc2c1[N+](=O)[O-]
InChI: InChI=1S/C15H20N4O2/c1-11-5-6-12-13(16-8-4-10-18(2)3)7-9-17-14(12)15(11)19(20)21/h5-7,9H,4,8,10H2,1-3H3,(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.51 | OCHEM | 2 » 1 |
| 5.51 | Baltruschat ChEMBL | 2 » 1 |
| 5.51 | QSARToolbox | 2 » 1 |