Molecule ID: mol15048
SMILES: O=[N+]([O-])c1cccc2nc3ccccc3c(NCCCO)c12
InChI: InChI=1S/C16H15N3O3/c20-10-4-9-17-16-11-5-1-2-6-12(11)18-13-7-3-8-14(15(13)16)19(21)22/h1-3,5-8,20H,4,9-10H2,(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.55 | Datawarrior | 1 » 0 |
| 7.55 | Baltruschat ChEMBL | 1 » 0 |
| 7.55 | QSARToolbox | 1 » 0 |
| 7.55 | OCHEM | 1 » 0 |