Molecule ID: mol15444
SMILES: CCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12
InChI: InChI=1S/C16H15N3O2/c1-2-10-17-16-11-6-3-4-7-12(11)18-13-8-5-9-14(15(13)16)19(20)21/h3-9H,2,10H2,1H3,(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.20 | OCHEM | 1 » 0 |
| 7.20 | QSARToolbox | 1 » 0 |
| 7.20 | Datawarrior | 1 » 0 |
| 7.20 | Baltruschat ChEMBL | 1 » 0 |