Molecule ID: mol18078
SMILES: CN(C)CCCNc1ncnc2cccc([N+](=O)[O-])c12
InChI: InChI=1S/C13H17N5O2/c1-17(2)8-4-7-14-13-12-10(15-9-16-13)5-3-6-11(12)18(19)20/h3,5-6,9H,4,7-8H2,1-2H3,(H,14,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.05 | OCHEM | 2 » 1 |
| 4.05 | Baltruschat ChEMBL | 2 » 1 |
| 4.05 | QSARToolbox | 2 » 1 |