Molecule ID: mol21588
SMILES: CCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1
InChI: InChI=1S/C13H19N3O2/c1-2-6-14-7-9-15(10-8-14)12-4-3-5-13(11-12)16(17)18/h3-5,11H,2,6-10H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.70 | OCHEM | 1 » 0 |
| 7.70 | Baltruschat ChEMBL | 1 » 0 |
| 7.70 | AttenGpKa training set | 1 » 0 |