Molecule ID: mol18081
SMILES: CNc1ccc([N+](=O)[O-])c2c(NCCCN(C)C)ccnc12
InChI: InChI=1S/C15H21N5O2/c1-16-12-5-6-13(20(21)22)14-11(7-9-18-15(12)14)17-8-4-10-19(2)3/h5-7,9,16H,4,8,10H2,1-3H3,(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.22 | QSARToolbox | 2 » 1 |
| 4.22 | OCHEM | 2 » 1 |
| 4.22 | Baltruschat ChEMBL | 2 » 1 |
| 4.22 | Baltruschat ChEMBL | 2 » 1 |