Molecule ID: mol18080
SMILES: COc1ccc([N+](=O)[O-])c2c(NCCCN(C)C)ccnc12
InChI: InChI=1S/C15H20N4O3/c1-18(2)10-4-8-16-11-7-9-17-15-13(22-3)6-5-12(14(11)15)19(20)21/h5-7,9H,4,8,10H2,1-3H3,(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.76 | OCHEM | 2 » 1 |
| 6.76 | Baltruschat ChEMBL | 2 » 1 |
| 6.76 | QSARToolbox | 2 » 1 |